(2S,4R)-2-ethyl-2,4-dimethyl-1-oxidanidyl-3-oxidanyl-5-phenyl-4H-imidazol-1-ium

Systemtic Name: (2S,4R)-2-ethyl-2,4-dimethyl-1-oxidanidyl-3-oxidanyl-5-phenyl-4H-imidazol-1-ium Openeye Name: (2S,4R)-2-ethyl-3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-4H-imidazol-1-ium CAS Name: (2S,4R)-2-ethyl-3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-4H-imidazol-1-ium IUPAC Name: (2S,4R)-2-ethyl-3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-4H-imidazol-1-ium Traditional Name: (2S,5R)-2-ethyl-1-hydroxy-2,5-dimethyl-3-oxido-4-phenyl-3-imidazolin-3-ium Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(N(C(C(=[N+]1[O-])C2=CC=CC=C2)C)O)C

Isomeric SMILES

CC[C@]1(N([C@@H](C(=[N+]1[O-])C2=CC=CC=C2)C)O)C

InChI

InChI=1S/C13H18N2O2/c1-4-13(3)14(16)10(2)12(15(13)17)11-8-6-5-7-9-11/h5-10,16H,4H2,1-3H3/t10-,13+/m1/s1