5,5-dimethyl-1-oxidanidyl-2-(4-phenylmethoxyphenyl)imidazol-1-ium-4-carbonitrile

Systemtic Name: 5,5-dimethyl-1-oxidanidyl-2-(4-phenylmethoxyphenyl)imidazol-1-ium-4-carbonitrile Openeye Name: 2-(4-benzyloxyphenyl)-5,5-dimethyl-1-oxido-imidazol-1-ium-4-carbonitrile CAS Name: 5,5-dimethyl-1-oxido-2-(4-phenylmethoxyphenyl)-4-imidazol-1-iumcarbonitrile IUPAC Name: 5,5-dimethyl-1-oxido-2-(4-phenylmethoxyphenyl)imidazol-1-ium-4-carbonitrile Traditional Name: 2-(4-benzoxyphenyl)-5,5-dimethyl-1-oxido-imidazol-1-ium-4-carbonitrile Formula: C19H17N3O2 MolecularWeight: 319.35718

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC(=[N+]1[O-])C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1(C(=NC(=[N+]1[O-])C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C19H17N3O2/c1-19(2)17(12-20)21-18(22(19)23)15-8-10-16(11-9-15)24-13-14-6-4-3-5-7-14/h3-11H,13H2,1-2H3