| 2D Structure | |
| CID | 5570 |
| IUPAC Name | 1-methylpyridin-1-ium-3-carboxylate |
| InChI | InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 |
| InChI Key | WWNNZCOKKKDOPX-UHFFFAOYSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.14 |
| synonyms | ['Trigonelline', '535-83-1', 'Gynesine', 'Caffearine', 'N-Methylnicotinate', 'Coffearine', 'Trigonellin', '1-methylpyridin-1-ium-3-carboxylate', 'Betain nicotinate', 'Coffearin', 'Betaine nicotinate', 'Nicotinic acid N-methylbetaine', '1-Methylpyridinio-3-carboxylate', 'Trigenelline', 'Caffearin', '3-Carboxy-1-methylpyridinium hydroxide inner salt', '1-methylnicotinate', 'CHEBI:18123', '3NQ9N60I00', 'Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt', 'DTXSID2026230', '3-Carboxy-1-methylpyridinium hydroxide, inner salt', 'RefChem:52089', 'DTXCID906230', '208-620-5', 'Trigenolline', '1-methylpyridinium-3-carboxylate', '1-Methyl-3-pyridiniumcarboxylate', "N'-Methylnicotinate", 'MFCD00054262', '1-methylpyridine-3-carboxylic acid', 'CCRIS 1332', '6138-40-5', 'EINECS 208-620-5', 'BRN 3905114', 'Trigonelline?', 'UNII-3NQ9N60I00', 'HSDB 7684', 'N-methyl-nicotinate', '3-Carboxy-1-methylpyridinium inner salt', "N'-Methylnicotinic acid", 'Trigonelline (Standard)', 'TRIGONELLINE [MI]', 'TRIGONELLINE [HSDB]', '5-22-02-00143 (Beilstein Handbook Reference)', 'MLS002153895', 'N-Methylnicotinic acid betaine', 'SCHEMBL195666', 'SPECTRUM1500880', 'TRIGONELLINE [USP-RS]', 'CHEMBL350675', 'orb1304887', 'SCHEMBL29561369', 'HY-N0414R', 'HMS2096H08', 'HMS2234K22', 'HMS3371K21', 'HMS5086O06', 'HY-N0414', 'MSK40340', 'BDBM50480286', 'BDBM50548713', 'CCG-38517', 'NSC714350', 'SBB085963', 'AKOS005067859', 'FT32681', 'NSC-714350', 'SDCCGMLS-0066739.P001', 'NCGC00095649-01', 'NCGC00095649-02', 'NCGC00095649-03', 'NCGC00095649-04', 'NCGC00095649-07', 'NCGC00095649-09', 'AC-34290', 'AS-17722', 'SMR001233244', '1-Methyl-Nicotinic Acid Anion(Trigonelline)', 'AB00052974', 'CS-0008944', 'NS00014578', 'Pyridinium, 3-carboxy-1-methyl-, inner salt', 'C01004', '3-carboxy-1-methyl-Pyridinium hydroxide inner salt', 'AP-163/40806827', 'Q928965', '3-Carboxy-1-methylpyridinium, Hydroxide, Inner salt', 'TrigonellineN-Methylnicotinate; Caffearine; Gynesine', 'TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED) [DSC]'] |
From Pubchem