| 2D Structure | |
| CID | 124841315 |
| IUPAC Name | methyl (1S,9R,10S,12S,13E,15S,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate |
| InChI | InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18-,20-,21-,22-,24-/m0/s1 |
| InChI Key | AFJPGVUCVDCFPM-BBFZNYENSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C22H29N2O4+ |
| Molecular Weight | 385.5 |
| synonyms | ['Echitamine', 'OTH5TH48VK', 'Ditaine', '6871-44-9', 'NSC-296565', 'DTXSID801318327', '(E,6R)-9-((2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl)-2,3,6-trimethyl-non-3-en-5-one', 'RefChem:136243', 'DTXCID501748139', '229-968-4', 'ECHITAMINE ION', 'ECHITAMINE CATION', 'ECHITAMINE [MI]', 'UNII-OTH5TH48VK', "13H-3,8A-METHANO-1H-AZEPINO(1',2':1,2)PYRROLO(2,3-B)INDOLIUM, 4-ETHYLIDENE-2,3,4,5,7,8-HEXAHYDRO-1-HYDROXY-14-(HYDROXYMETHYL)-14-(METHOXYCARBONYL)-6-METHYL-, (1S,3S,4E,8AS,13AR,14R)-", 'EINECS 229-968-4', 'NSC 296565', 'BRN 4164538', "13H-3,8A-METHANO-1H-AZEPINO(1',2':1,2)PYRROLO(2,3-B)INDOLIUM, 4-ETHYLIDENE-2,3,4,5,7,8-HEXAHYDRO-1-HYDROXY-14-(HYDROXYMETHYL)-14-(METHOXYCARBONYL)-6-METHYL-, (1S-(1.ALPHA.,3.BETA.,4E,8A.ALPHA.,13AS*,14S*))-", '2,4(1H)-Cyclo-3,4-secoakuammilanium, 3,17-dihydroxy-16-(methoxycarbonyl)-4-methyl-, (3-beta,16R)-'] |
From Pubchem