methyl 2-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 2-[[oxo-[4-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 2-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c1-32-26(31)23-9-5-6-10-24(23)27-25(30)21-13-11-20(12-14-21)19-28-15-17-29(18-16-28)22-7-3-2-4-8-22/h2-14H,15-19H2,1H3,(H,27,30)/p+1