phenyl N-[3-(4-methylpiperazin-1-yl)octadecyl]-N-(3-oxidanylidenepropyl)carbamate hydrochloride

Systemtic Name: phenyl N-[3-(4-methylpiperazin-1-yl)octadecyl]-N-(3-oxidanylidenepropyl)carbamate hydrochloride Openeye Name: phenyl N-[3-(4-methylpiperazin-1-yl)octadecyl]-N-(3-oxopropyl)carbamate hydrochloride CAS Name: N-[3-(4-methyl-1-piperazinyl)octadecyl]-N-(3-oxopropyl)carbamic acid phenyl ester hydrochloride IUPAC Name: phenyl N-[3-(4-methylpiperazin-1-yl)octadecyl]-N-(3-oxopropyl)carbamate hydrochloride Traditional Name: N-(3-ketopropyl)-N-[3-(4-methylpiperazino)octadecyl]carbamic acid phenyl ester hydrochloride Formula: C33H58ClN3O3 MolecularWeight: 580.28492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCN(CCC=O)C(=O)OC1=CC=CC=C1)N2CCN(CC2)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCN(CCC=O)C(=O)OC1=CC=CC=C1)N2CCN(CC2)C.Cl

InChI

InChI=1S/C33H57N3O3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20-31(35-28-26-34(2)27-29-35)23-25-36(24-19-30-37)33(38)39-32-21-17-15-18-22-32;/h15,17-18,21-22,30-31H,3-14,16,19-20,23-29H2,1-2H3;1H