ethyl (2S,4S)-3-(3-oxidanylidenebutyl)-4-phenyl-1,3-oxazolidin-3-ium-2-carboxylate

Systemtic Name: ethyl (2S,4S)-3-(3-oxidanylidenebutyl)-4-phenyl-1,3-oxazolidin-3-ium-2-carboxylate Openeye Name: ethyl (2S,4S)-3-(3-oxobutyl)-4-phenyl-oxazolidin-3-ium-2-carboxylate CAS Name: (2S,4S)-3-(3-oxobutyl)-4-phenyl-2-oxazolidin-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S)-3-(3-oxobutyl)-4-phenyl-1,3-oxazolidin-3-ium-2-carboxylate Traditional Name: (2S,4S)-3-(3-ketobutyl)-4-phenyl-oxazolidin-3-ium-2-carboxylic acid ethyl ester Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1[NH+](C(CO1)C2=CC=CC=C2)CCC(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1[NH+]([C@H](CO1)C2=CC=CC=C2)CCC(=O)C

InChI

InChI=1S/C16H21NO4/c1-3-20-16(19)15-17(10-9-12(2)18)14(11-21-15)13-7-5-4-6-8-13/h4-8,14-15H,3,9-11H2,1-2H3/p+1/t14-,15+/m1/s1