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

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-phenylphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-phenylbenzoyl)amino]benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[[oxo-(4-phenylphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-phenylbenzoyl)amino]benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-phenylbenzoyl)amino]benzoic acid methyl ester Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c1-28-14-16-29(17-15-28)24-13-12-22(26(31)32-2)18-23(24)27-25(30)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-13,18H,14-17H2,1-2H3,(H,27,30)/p+1