3-(dodecanoylamino)propyl-dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azanium chloride

Systemtic Name: 3-(dodecanoylamino)propyl-dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azanium chloride Openeye Name: 3-(dodecanoylamino)propyl-[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]-dimethyl-ammonium chloride CAS Name: dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]-[3-(1-oxododecylamino)propyl]ammonium chloride IUPAC Name: 3-(dodecanoylamino)propyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium chloride Traditional Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl]-[3-(lauroylamino)propyl]-dimethyl-ammonium chloride Formula: C29H57ClN2O3 MolecularWeight: 517.22748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OC1CC(CCC1C(C)C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OC1CC(CCC1C(C)C)C.[Cl-]

InChI

InChI=1S/C29H56N2O3.ClH/c1-7-8-9-10-11-12-13-14-15-17-28(32)30-20-16-21-31(5,6)23-29(33)34-27-22-25(4)18-19-26(27)24(2)3;/h24-27H,7-23H2,1-6H3;1H