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

Systemtic Name: ethyl 4-[(2R)-1-oxidanylidene-1-thiophen-2-yl-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-1-methyl-2-oxo-2-(2-thienyl)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-oxo-1-thiophen-2-ylpropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-oxo-1-thiophen-2-ylpropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-keto-1-methyl-2-(2-thienyl)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)C2=CC=CS2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)C2=CC=CS2

InChI

InChI=1S/C14H20N2O3S/c1-3-19-14(18)16-8-6-15(7-9-16)11(2)13(17)12-5-4-10-20-12/h4-5,10-11H,3,6-9H2,1-2H3/p+1/t11-/m1/s1