[2-(octadecylcarbamoyl)phenyl]methyl N-(1-methylpiperazin-1-ium-1-yl)carbamate

Systemtic Name: [2-(octadecylcarbamoyl)phenyl]methyl N-(1-methylpiperazin-1-ium-1-yl)carbamate Openeye Name: [2-(octadecylcarbamoyl)phenyl]methyl N-(1-methylpiperazin-1-ium-1-yl)carbamate CAS Name: N-(1-methyl-1-piperazin-1-iumyl)carbamic acid [2-[(octadecylamino)-oxomethyl]phenyl]methyl ester IUPAC Name: [2-(octadecylcarbamoyl)phenyl]methyl N-(1-methylpiperazin-1-ium-1-yl)carbamate Traditional Name: N-(1-methylpiperazin-1-ium-1-yl)carbamic acid [2-(stearylcarbamoyl)benzyl] ester Formula: C32H57N4O3+ MolecularWeight: 545.81998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1COC(=O)N[N+]2(CCNCC2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1COC(=O)N[N+]2(CCNCC2)C

InChI

InChI=1S/C32H56N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-34-31(37)30-22-19-18-21-29(30)28-39-32(38)35-36(2)26-24-33-25-27-36/h18-19,21-22,33H,3-17,20,23-28H2,1-2H3,(H-,34,35,37,38)/p+1