ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H30ClN2O3S+ MolecularWeight: 450.0139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O3S/c1-4-29-23(28)21-20(17-5-7-18(24)8-6-17)16(3)30-22(21)25-19(27)11-14-26-12-9-15(2)10-13-26/h5-8,15H,4,9-14H2,1-3H3,(H,25,27)/p+1