4-[(3-oxidanylpyridin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-oxidanylpyridin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-hydroxypyridin-1-ium-1-yl)methyl]benzonitrile CAS Name: 4-[(3-hydroxy-1-pyridin-1-iumyl)methyl]benzonitrile IUPAC Name: 4-[(3-hydroxypyridin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(3-hydroxypyridin-1-ium-1-yl)methyl]benzonitrile Formula: C13H11N2O+ MolecularWeight: 211.23924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C13H10N2O/c14-8-11-3-5-12(6-4-11)9-15-7-1-2-13(16)10-15/h1-7,10H,9H2/p+1