dimethyl 3-methyl-5-[3-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[3-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(4-benzoylpiperidin-1-ium-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-benzoyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-benzoylpiperidin-1-ium-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-benzoylpiperidin-1-ium-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C24H29N2O6S+ MolecularWeight: 473.56186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CC[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H28N2O6S/c1-15-19(23(29)31-2)22(33-21(15)24(30)32-3)25-18(27)11-14-26-12-9-17(10-13-26)20(28)16-7-5-4-6-8-16/h4-8,17H,9-14H2,1-3H3,(H,25,27)/p+1