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

Systemtic Name: ethyl 1-[(2R)-1-oxidanylidene-1-thiophen-2-yl-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-methyl-2-oxo-2-(2-thienyl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-thiophen-2-ylpropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-oxo-1-thiophen-2-ylpropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(2-thienyl)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C15H22NO3S+ MolecularWeight: 296.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)C2=CC=CS2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)C2=CC=CS2

InChI

InChI=1S/C15H21NO3S/c1-3-19-15(18)12-6-8-16(9-7-12)11(2)14(17)13-5-4-10-20-13/h4-5,10-12H,3,6-9H2,1-2H3/p+1/t11-/m1/s1