4,5-dimethyl-1-oxidanidyl-3-phenethyl-imidazol-1-ium

Systemtic Name: 4,5-dimethyl-1-oxidanidyl-3-phenethyl-imidazol-1-ium Openeye Name: 4,5-dimethyl-1-oxido-3-phenethyl-imidazol-1-ium CAS Name: 4,5-dimethyl-1-oxido-3-phenethylimidazol-1-ium IUPAC Name: 4,5-dimethyl-1-oxido-3-phenethylimidazol-1-ium Traditional Name: 4,5-dimethyl-1-oxido-3-phenethyl-imidazol-1-ium Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CN1CCC2=CC=CC=C2)[O-])C

Isomeric SMILES

CC1=C([N+](=CN1CCC2=CC=CC=C2)[O-])C

InChI

InChI=1S/C13H16N2O/c1-11-12(2)15(16)10-14(11)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3