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

Systemtic Name: ethyl 2-[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H25ClN3O3S2+ MolecularWeight: 491.0459

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H24ClN3O3S2/c1-2-30-23(29)21-16(19-8-5-13-31-19)15-32-22(21)25-20(28)14-26-9-11-27(12-10-26)18-7-4-3-6-17(18)24/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,28)/p+1