[2-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-3-ium-2-yl]phenyl] benzoate

Systemtic Name: [2-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-3-ium-2-yl]phenyl] benzoate Openeye Name: [2-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-oxazolidin-3-ium-2-yl]phenyl] benzoate CAS Name: benzoic acid [2-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-2-oxazolidin-3-iumyl]phenyl] ester IUPAC Name: [2-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-3-ium-2-yl]phenyl] benzoate Traditional Name: benzoic acid [2-[(2S,4S,5S)-3,4-dimethyl-5-phenyl-oxazolidin-3-ium-2-yl]phenyl] ester Formula: C24H24NO3+ MolecularWeight: 374.45226

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC([NH+]1C)C2=CC=CC=C2OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1[C@@H](O[C@H]([NH+]1C)C2=CC=CC=C2OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H23NO3/c1-17-22(18-11-5-3-6-12-18)28-23(25(17)2)20-15-9-10-16-21(20)27-24(26)19-13-7-4-8-14-19/h3-17,22-23H,1-2H3/p+1/t17-,22+,23-/m0/s1