[1-[4-(dimethylamino)butanoyl-octadecyl-amino]cyclohex-3-en-1-yl]methyl carbamate hydrochloride

Systemtic Name: [1-[4-(dimethylamino)butanoyl-octadecyl-amino]cyclohex-3-en-1-yl]methyl carbamate hydrochloride Openeye Name: [1-[4-(dimethylamino)butanoyl-octadecyl-amino]cyclohex-3-en-1-yl]methyl carbamate hydrochloride CAS Name: carbamic acid [1-[[4-(dimethylamino)-1-oxobutyl]-octadecylamino]-1-cyclohex-3-enyl]methyl ester hydrochloride IUPAC Name: [1-[4-(dimethylamino)butanoyl-octadecylamino]cyclohex-3-en-1-yl]methyl carbamate hydrochloride Traditional Name: carbamic acid [1-[4-(dimethylamino)butanoyl-stearyl-amino]cyclohex-3-en-1-yl]methyl ester hydrochloride Formula: C32H62ClN3O3 MolecularWeight: 572.30598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(=O)CCCN(C)C)C1(CCC=CC1)COC(=O)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(=O)CCCN(C)C)C1(CCC=CC1)COC(=O)N.Cl

InChI

InChI=1S/C32H61N3O3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-35(30(36)24-23-27-34(2)3)32(29-38-31(33)37)25-20-19-21-26-32;/h19-20H,4-18,21-29H2,1-3H3,(H2,33,37);1H