ethyl 2-[2-[4-(dimethylcarbamoyl)piperidin-1-ium-1-yl]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(dimethylcarbamoyl)piperidin-1-ium-1-yl]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(dimethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-[dimethylamino(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(dimethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(dimethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-5-31-24(30)21-19(17-8-6-16(2)7-9-17)15-32-22(21)25-20(28)14-27-12-10-18(11-13-27)23(29)26(3)4/h6-9,15,18H,5,10-14H2,1-4H3,(H,25,28)/p+1