4-[(2-azanylpyridin-1-ium-3-yl)oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[(2-azanylpyridin-1-ium-3-yl)oxymethyl]benzenecarbonitrile Openeye Name: 4-[(2-aminopyridin-1-ium-3-yl)oxymethyl]benzonitrile CAS Name: 4-[(2-amino-3-pyridin-1-iumyl)oxymethyl]benzonitrile IUPAC Name: 4-[(2-aminopyridin-1-ium-3-yl)oxymethyl]benzonitrile Traditional Name: 4-[(2-aminopyridin-1-ium-3-yl)oxymethyl]benzonitrile Formula: C13H12N3O+ MolecularWeight: 226.25388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)N)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC(=C([NH+]=C1)N)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3O/c14-8-10-3-5-11(6-4-10)9-17-12-2-1-7-16-13(12)15/h1-7H,9H2,(H2,15,16)/p+1