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

Systemtic Name: [2-[(1-methyl-4-phenyl-piperazin-1-ium-1-yl)-phenyl-amino]phenyl] 2-methylbutanoate Openeye Name: [2-(N-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)anilino)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(N-(1-methyl-4-phenyl-1-piperazin-1-iumyl)anilino)phenyl] ester IUPAC Name: [2-(N-(1-methyl-4-phenylpiperazin-1-ium-1-yl)anilino)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(N-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)anilino)phenyl] ester Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N3O2/c1-4-23(2)28(32)33-27-18-12-11-17-26(27)30(25-15-9-6-10-16-25)31(3)21-19-29(20-22-31)24-13-7-5-8-14-24/h5-18,23H,4,19-22H2,1-3H3/q+1