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

Systemtic Name: methyl 3-[(3-chlorophenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-chlorobenzoyl)amino]benzoate CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-chlorobenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-chlorobenzoyl)amino]benzoic acid methyl ester Formula: C26H27ClN3O3+ MolecularWeight: 464.96388

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O3/c1-33-26(32)21-10-11-24(23(17-21)28-25(31)20-8-5-9-22(27)16-20)30-14-12-29(13-15-30)18-19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,28,31)/p+1