ethyl 1-[2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thienyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thiophenyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(3-carbethoxy-4-ethyl-5-methyl-2-thienyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H31N2O5S+ MolecularWeight: 411.53554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C[NH+]2CCC(CC2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C[NH+]2CCC(CC2)C(=O)OCC)C

InChI

InChI=1S/C20H30N2O5S/c1-5-15-13(4)28-18(17(15)20(25)27-7-3)21-16(23)12-22-10-8-14(9-11-22)19(24)26-6-2/h14H,5-12H2,1-4H3,(H,21,23)/p+1