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

Systemtic Name: methyl 2-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-4-(2-chlorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-(2-chlorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C20H23ClN3O4S+ MolecularWeight: 436.93232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4S/c1-28-20(27)17-14(13-4-2-3-5-15(13)21)11-29-19(17)23-16(25)10-24-8-6-12(7-9-24)18(22)26/h2-5,11-12H,6-10H2,1H3,(H2,22,26)(H,23,25)/p+1