dimethyl 5-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H25ClN3O5S+ MolecularWeight: 466.9583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H24ClN3O5S/c1-13-17(20(27)29-2)19(31-18(13)21(28)30-3)23-16(26)12-24-7-9-25(10-8-24)15-6-4-5-14(22)11-15/h4-6,11H,7-10,12H2,1-3H3,(H,23,26)/p+1