methyl 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(4-phenylphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(4-phenylphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-phenylbenzoyl)amino]benzoate CAS Name: 3-[[oxo-(4-phenylphenyl)methyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-phenylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-phenylbenzoyl)amino]benzoic acid methyl ester Formula: C32H32N3O3+ MolecularWeight: 506.61478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H31N3O3/c1-38-32(37)28-16-17-30(35-20-18-34(19-21-35)23-24-8-4-2-5-9-24)29(22-28)33-31(36)27-14-12-26(13-15-27)25-10-6-3-7-11-25/h2-17,22H,18-21,23H2,1H3,(H,33,36)/p+1