ethyl 2-[2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H23ClN3O4S+ MolecularWeight: 436.93232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O4S/c1-2-28-20(27)15-7-12-29-18(15)22-17(25)13-23-8-10-24(11-9-23)19(26)14-5-3-4-6-16(14)21/h3-7,12H,2,8-11,13H2,1H3,(H,22,25)/p+1