[6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-methylpiperazine-1-carboxylate hydrochloride

Systemtic Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-methylpiperazine-1-carboxylate hydrochloride Openeye Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-methylpiperazine-1-carboxylate hydrochloride CAS Name: 4-methyl-1-piperazinecarboxylic acid [6-[(octadecylamino)-oxomethyl]-1-cyclohex-3-enyl]methyl ester hydrochloride IUPAC Name: [6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl 4-methylpiperazine-1-carboxylate hydrochloride Traditional Name: 4-methylpiperazine-1-carboxylic acid [6-(stearylcarbamoyl)cyclohex-3-en-1-yl]methyl ester hydrochloride Formula: C32H60ClN3O3 MolecularWeight: 570.2901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1COC(=O)N2CCN(CC2)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1COC(=O)N2CCN(CC2)C.Cl

InChI

InChI=1S/C32H59N3O3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-31(36)30-22-19-18-21-29(30)28-38-32(37)35-26-24-34(2)25-27-35;/h18-19,29-30H,3-17,20-28H2,1-2H3,(H,33,36);1H