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

Systemtic Name: methyl 4-(2-chlorophenyl)-2-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-2-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[2-(4-hydroxy-1-piperidin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-2-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H22ClN2O4S+ MolecularWeight: 409.90698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C[NH+]3CCC(CC3)O

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C19H21ClN2O4S/c1-26-19(25)17-14(13-4-2-3-5-15(13)20)11-27-18(17)21-16(24)10-22-8-6-12(23)7-9-22/h2-5,11-12,23H,6-10H2,1H3,(H,21,24)/p+1