phenyl-(4,4,5-trimethyl-1-oxidanidyl-3-oxidanyl-2H-imidazol-1-ium-2-yl)methanone

Systemtic Name: phenyl-(4,4,5-trimethyl-1-oxidanidyl-3-oxidanyl-2H-imidazol-1-ium-2-yl)methanone Openeye Name: (3-hydroxy-4,4,5-trimethyl-1-oxido-2H-imidazol-1-ium-2-yl)-phenyl-methanone CAS Name: (3-hydroxy-4,4,5-trimethyl-1-oxido-2H-imidazol-1-ium-2-yl)-phenylmethanone IUPAC Name: (3-hydroxy-4,4,5-trimethyl-1-oxido-2H-imidazol-1-ium-2-yl)-phenylmethanone Traditional Name: (3-hydroxy-4,4,5-trimethyl-1-oxido-3-imidazolin-1-ium-2-yl)-phenyl-methanone Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(N(C1(C)C)O)C(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=[N+](C(N(C1(C)C)O)C(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H16N2O3/c1-9-13(2,3)15(18)12(14(9)17)11(16)10-7-5-4-6-8-10/h4-8,12,18H,1-3H3