O4-ethyl O2-(2-methoxyethyl) 5-[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 5-[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 5-[[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 5-[[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-carbethoxypiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C22H33N2O8S+ MolecularWeight: 485.57102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)C(=O)OCCOC)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)C(=O)OCCOC)C)C(=O)OCC

InChI

InChI=1S/C22H32N2O8S/c1-5-30-20(26)15-7-9-24(10-8-15)13-16(25)23-19-17(21(27)31-6-2)14(3)18(33-19)22(28)32-12-11-29-4/h15H,5-13H2,1-4H3,(H,23,25)/p+1