methyl 5-aminocarbonyl-2-[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-2-[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24ClN4O4S+ MolecularWeight: 451.94696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O4S/c1-12-16(20(28)29-2)19(30-17(12)18(22)27)23-15(26)11-24-7-9-25(10-8-24)14-5-3-13(21)4-6-14/h3-6H,7-11H2,1-2H3,(H2,22,27)(H,23,26)/p+1