methyl 4-chloranyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c1-27-20(26)15-7-8-17(21)18(13-15)22-19(25)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,22,25)/p+1