4-[[3-[(1-oxidanidyl-6-phenyl-pyridin-1-ium-3-yl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[(1-oxidanidyl-6-phenyl-pyridin-1-ium-3-yl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[(1-oxido-6-phenyl-pyridin-1-ium-3-yl)methyl]imidazol-4-yl]methyl]benzonitrile CAS Name: 4-[[3-[(1-oxido-6-phenyl-3-pyridin-1-iumyl)methyl]-4-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[3-[(1-oxido-6-phenylpyridin-1-ium-3-yl)methyl]imidazol-4-yl]methyl]benzonitrile Traditional Name: 4-[[3-[(1-oxido-6-phenyl-pyridin-1-ium-3-yl)methyl]imidazol-4-yl]methyl]benzonitrile Formula: C23H18N4O MolecularWeight: 366.41522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C=C(C=C2)CN3C=NC=C3CC4=CC=C(C=C4)C#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C=C(C=C2)CN3C=NC=C3CC4=CC=C(C=C4)C#N)[O-]

InChI

InChI=1S/C23H18N4O/c24-13-19-8-6-18(7-9-19)12-22-14-25-17-26(22)15-20-10-11-23(27(28)16-20)21-4-2-1-3-5-21/h1-11,14,16-17H,12,15H2