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

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-(4-ethoxycarbonylpiperidin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 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-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 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 O2-allyl ester O4-ethyl ester Formula: C22H31N2O7S+ MolecularWeight: 467.55574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O7S/c1-5-12-31-22(28)18-14(4)17(21(27)30-7-3)19(32-18)23-16(25)13-24-10-8-15(9-11-24)20(26)29-6-2/h5,15H,1,6-13H2,2-4H3,(H,23,25)/p+1