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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-2-[[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-2-[[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C22H27Cl2N4O4S+ MolecularWeight: 514.44518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26Cl2N4O4S/c1-12(2)32-22(31)18-13(3)19(20(25)30)33-21(18)26-17(29)11-27-6-8-28(9-7-27)14-4-5-15(23)16(24)10-14/h4-5,10,12H,6-9,11H2,1-3H3,(H2,25,30)(H,26,29)/p+1