ethyl 5-chloranyl-4-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-4-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-chloro-4-(4-methylphenyl)-2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-(4-methylphenyl)-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-chloro-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)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)C)Cl)NC(=O)C[NH+]3CCC(CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O3S/c1-4-28-22(27)19-18(16-7-5-14(2)6-8-16)20(23)29-21(19)24-17(26)13-25-11-9-15(3)10-12-25/h5-8,15H,4,9-13H2,1-3H3,(H,24,26)/p+1