| 2D Structure | |
| CID | 14842 |
| IUPAC Name | benzyl-dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride |
| InChI | InChI=1S/C28H44NO2.ClH/c1-23-20-25(14-15-26(23)28(5,6)22-27(2,3)4)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1 |
| InChI Key | WYWSKWZUWZLELX-UHFFFAOYSA-M |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C28H44ClNO2 |
| Molecular Weight | 462.1 |
| synonyms | ['3-Methylbenzethonium chloride', '15716-02-6', 'UNII-Q827QV2C17', 'Q827QV2C17', 'Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-M-tolyl)oxy)ethoxy)ethyl)ammonium chloride', 'DSSTox_CID_15708', 'DSSTox_RID_79266', 'DSSTox_GSID_35708', 'Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride', 'SCHEMBL1652001', 'CHEMBL2356578', 'DTXSID30872313', 'WYWSKWZUWZLELX-UHFFFAOYSA-M', 'Tox21_113530', 'Tox21_301446', 'Tox21_113530_1', 'NCGC00016789-06', 'NCGC00255508-01', 'benzyl-dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride', 'Q27287101', 'AMMONIUM, BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-M-TOLYL)OXY)ETHOXY)ETHYL)-, CHLORIDE', 'BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(3-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-, CHLORIDE (1:1)', 'N-benzyl-N,N-dimethyl-2-(2-(3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium chloride', 'N-Benzyl-N,N-dimethyl-2-{2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethan-1-aminium chloride'] |
From Pubchem