ethyl 3-methyl-5-[2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-benzoylpiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4-benzoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-benzoylpiperidin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(4-benzoylpiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O4S/c1-3-28-22(27)21-15(2)13-19(29-21)23-18(25)14-24-11-9-17(10-12-24)20(26)16-7-5-4-6-8-16/h4-8,13,17H,3,9-12,14H2,1-2H3,(H,23,25)/p+1