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

Systemtic Name: 3-(docosanoylamino)propyl-dimethyl-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]azanium chloride Openeye Name: 3-(docosanoylamino)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-oxodocosylamino)propyl]ammonium chloride IUPAC Name: 3-(docosanoylamino)propyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium chloride Traditional Name: 3-(docosanoylamino)propyl-[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl]-dimethyl-ammonium chloride Formula: C39H77ClN2O3 MolecularWeight: 657.49328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H76N2O3.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-38(42)40-30-26-31-41(5,6)33-39(43)44-37-32-35(4)28-29-36(37)34(2)3;/h34-37H,7-33H2,1-6H3;1H