[(2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (5R)-3-oxidanylidene-4-phenyl-1,3-oxazolidin-3-ium-5-carboxylate

Systemtic Name: [(2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (5R)-3-oxidanylidene-4-phenyl-1,3-oxazolidin-3-ium-5-carboxylate Openeye Name: [(2S,5S)-2-isopropyl-5-methyl-cyclohexyl] (5R)-3-oxo-4-phenyl-oxazolidin-3-ium-5-carboxylate CAS Name: (5R)-3-oxo-4-phenyl-5-oxazolidin-3-iumcarboxylic acid [(2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (5R)-3-oxo-4-phenyl-1,3-oxazolidin-3-ium-5-carboxylate Traditional Name: (5R)-3-keto-4-phenyl-oxazolidin-3-ium-5-carboxylic acid [(2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H28NO4+ MolecularWeight: 346.44062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2C([N+](=O)CO2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H](C(C1)OC(=O)[C@H]2C([N+](=O)CO2)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C20H28NO4/c1-13(2)16-10-9-14(3)11-17(16)25-20(22)19-18(21(23)12-24-19)15-7-5-4-6-8-15/h4-8,13-14,16-19H,9-12H2,1-3H3/q+1/t14-,16-,17?,18?,19+/m0/s1