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

Systemtic Name: O4-ethyl O2-prop-2-enyl 3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 3-methyl-5-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 3-methyl-5-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C20H29N2O5S+ MolecularWeight: 409.51966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)C[NH+]2CCCC(C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)C[NH+]2CCC[C@H](C2)C

InChI

InChI=1S/C20H28N2O5S/c1-5-10-27-20(25)17-14(4)16(19(24)26-6-2)18(28-17)21-15(23)12-22-9-7-8-13(3)11-22/h5,13H,1,6-12H2,2-4H3,(H,21,23)/p+1/t13-/m1/s1