ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H28ClN2O3S+ MolecularWeight: 435.98732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C22H27ClN2O3S/c1-3-28-22(27)20-19(16-7-9-17(23)10-8-16)15(2)29-21(20)24-18(26)11-14-25-12-5-4-6-13-25/h7-10H,3-6,11-14H2,1-2H3,(H,24,26)/p+1