ethyl 1-[(2R)-1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H31N2O5S+ MolecularWeight: 459.57834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H30N2O5S/c1-4-30-23(28)18-11-13-26(14-12-18)16(3)21(27)25-22-20(24(29)31-5-2)19(15-32-22)17-9-7-6-8-10-17/h6-10,15-16,18H,4-5,11-14H2,1-3H3,(H,25,27)/p+1/t16-/m1/s1