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

Systemtic Name: O4-ethyl O2-prop-2-enyl 3-methyl-5-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-hydroxy-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-hydroxypiperidin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C19H27N2O6S+ MolecularWeight: 411.49248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)C[NH+]2CCC(CC2)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)C[NH+]2CCC(CC2)O

InChI

InChI=1S/C19H26N2O6S/c1-4-10-27-19(25)16-12(3)15(18(24)26-5-2)17(28-16)20-14(23)11-21-8-6-13(22)7-9-21/h4,13,22H,1,5-11H2,2-3H3,(H,20,23)/p+1