methyl 2-[methyl-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoyl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoyl]amino]benzoate Openeye Name: methyl 2-[methyl-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[methyl-[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[methyl-[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H23N3O4S/c1-21(16-7-4-3-6-15(16)20(26)27-2)18(24)14-22-9-11-23(12-10-22)19(25)17-8-5-13-28-17/h3-8,13H,9-12,14H2,1-2H3/p+1