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

Systemtic Name: methyl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c1-26-20(25)16-7-9-17(10-8-16)21-19(24)15-22-11-13-23(14-12-22)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,24)/p+1