[2-[(1-methyl-4-phenyl-piperazin-1-ium-1-yl)-(phenylmethyl)amino]phenyl] 2-methylbutanoate

Systemtic Name: [2-[(1-methyl-4-phenyl-piperazin-1-ium-1-yl)-(phenylmethyl)amino]phenyl] 2-methylbutanoate Openeye Name: [2-[benzyl-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)amino]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-[(1-methyl-4-phenyl-1-piperazin-1-iumyl)-(phenylmethyl)amino]phenyl] ester IUPAC Name: [2-[benzyl-(1-methyl-4-phenylpiperazin-1-ium-1-yl)amino]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-[benzyl-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)amino]phenyl] ester Formula: C29H36N3O2+ MolecularWeight: 458.61504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=CC=C1N(CC2=CC=CC=C2)[N+]3(CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C)C(=O)OC1=CC=CC=C1N(CC2=CC=CC=C2)[N+]3(CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C29H36N3O2/c1-4-24(2)29(33)34-28-18-12-11-17-27(28)31(23-25-13-7-5-8-14-25)32(3)21-19-30(20-22-32)26-15-9-6-10-16-26/h5-18,24H,4,19-23H2,1-3H3/q+1