diethyl 5-[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(3S)-3-carbethoxypiperidin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H31N2O7S+ MolecularWeight: 455.54504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C21H30N2O7S/c1-5-28-19(25)14-9-8-10-23(11-14)12-15(24)22-18-16(20(26)29-6-2)13(4)17(31-18)21(27)30-7-3/h14H,5-12H2,1-4H3,(H,22,24)/p+1/t14-/m0/s1