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

Systemtic Name: methyl 4,5-dimethyl-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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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=N3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-13-14(2)27-18(17(13)19(25)26-3)21-16(24)12-22-8-10-23(11-9-22)15-6-4-5-7-20-15/h4-7H,8-12H2,1-3H3,(H,21,24)/p+1