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

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-4-methyl-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H28N5O4S+ MolecularWeight: 446.54312

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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=CC=N3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)C(=O)N

InChI

InChI=1S/C21H27N5O4S/c1-13(2)30-21(29)17-14(3)18(19(22)28)31-20(17)24-16(27)12-25-8-10-26(11-9-25)15-6-4-5-7-23-15/h4-7,13H,8-12H2,1-3H3,(H2,22,28)(H,24,27)/p+1