methyl 4-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H24FN2O3S+ MolecularWeight: 391.479563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H23FN2O3S/c1-13-7-9-23(10-8-13)11-17(24)22-19-18(20(25)26-2)16(12-27-19)14-3-5-15(21)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H,22,24)/p+1