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

Systemtic Name: dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]-[3-(octadecanoylamino)propyl]azanium chloride Openeye Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]-dimethyl-[3-(octadecanoylamino)propyl]ammonium chloride CAS Name: dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]-[3-(1-oxooctadecylamino)propyl]ammonium chloride IUPAC Name: dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]-[3-(octadecanoylamino)propyl]azanium chloride Traditional Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl]-dimethyl-(3-stearamidopropyl)ammonium chloride Formula: C35H69ClN2O3 MolecularWeight: 601.38696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H68N2O3.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-34(38)36-26-22-27-37(5,6)29-35(39)40-33-28-31(4)24-25-32(33)30(2)3;/h30-33H,7-29H2,1-6H3;1H