ethyl 2-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-2-28-21(27)18-8-3-4-9-19(18)23-20(26)15-24-10-12-25(13-11-24)17-7-5-6-16(22)14-17/h3-9,14H,2,10-13,15H2,1H3,(H,23,26)/p+1