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

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-4-methyl-2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)N)C)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)N)C)C(=O)OC(C)C

InChI

InChI=1S/C23H30N4O4S/c1-14(2)31-23(30)19-16(4)20(21(24)29)32-22(19)25-18(28)13-26-9-11-27(12-10-26)17-8-6-5-7-15(17)3/h5-8,14H,9-13H2,1-4H3,(H2,24,29)(H,25,28)/p+1