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

Systemtic Name: methyl 4-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H24N3O4+ MolecularWeight: 382.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-28-21(27)17-7-9-18(10-8-17)22-19(25)15-23-11-13-24(14-12-23)20(26)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,25)/p+1