ethyl 4-(4-fluorophenyl)-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28FN2O3S+ MolecularWeight: 419.532723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CC[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CC[NH+]3CCC(CC3)C

InChI

InChI=1S/C22H27FN2O3S/c1-3-28-22(27)20-18(16-4-6-17(23)7-5-16)14-29-21(20)24-19(26)10-13-25-11-8-15(2)9-12-25/h4-7,14-15H,3,8-13H2,1-2H3,(H,24,26)/p+1