[2-[2-(octadecylamino)-2-oxidanylidene-ethyl]phenyl]methyl 4-methylpiperazine-1-carboxylate hydrochloride

Systemtic Name: [2-[2-(octadecylamino)-2-oxidanylidene-ethyl]phenyl]methyl 4-methylpiperazine-1-carboxylate hydrochloride Openeye Name: [2-[2-(octadecylamino)-2-oxo-ethyl]phenyl]methyl 4-methylpiperazine-1-carboxylate hydrochloride CAS Name: 4-methyl-1-piperazinecarboxylic acid [2-[2-(octadecylamino)-2-oxoethyl]phenyl]methyl ester hydrochloride IUPAC Name: [2-[2-(octadecylamino)-2-oxoethyl]phenyl]methyl 4-methylpiperazine-1-carboxylate hydrochloride Traditional Name: 4-methylpiperazine-1-carboxylic acid [2-[2-keto-2-(stearylamino)ethyl]benzyl] ester hydrochloride Formula: C33H58ClN3O3 MolecularWeight: 580.28492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CC1=CC=CC=C1COC(=O)N2CCN(CC2)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CC1=CC=CC=C1COC(=O)N2CCN(CC2)C.Cl

InChI

InChI=1S/C33H57N3O3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-34-32(37)28-30-21-18-19-22-31(30)29-39-33(38)36-26-24-35(2)25-27-36;/h18-19,21-22H,3-17,20,23-29H2,1-2H3,(H,34,37);1H