2-(3-phenylpiperidin-1-ium-1-yl)ethanenitrile

Systemtic Name: 2-(3-phenylpiperidin-1-ium-1-yl)ethanenitrile Openeye Name: 2-(3-phenylpiperidin-1-ium-1-yl)acetonitrile CAS Name: 2-(3-phenyl-1-piperidin-1-iumyl)acetonitrile IUPAC Name: 2-(3-phenylpiperidin-1-ium-1-yl)acetonitrile Traditional Name: 2-(3-phenylpiperidin-1-ium-1-yl)acetonitrile Formula: C13H17N2+ MolecularWeight: 201.28748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC#N)C2=CC=CC=C2

Isomeric SMILES

C1CC(C[NH+](C1)CC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2/c14-8-10-15-9-4-7-13(11-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7,9-11H2/p+1