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

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-carbamoyl-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-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C20H28N3O6S+ MolecularWeight: 438.51782

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6S/c1-4-10-29-20(27)16-12(3)15(19(26)28-5-2)18(30-16)22-14(24)11-23-8-6-13(7-9-23)17(21)25/h4,13H,1,5-11H2,2-3H3,(H2,21,25)(H,22,24)/p+1