2-oxidanyl-4,6-diphenethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-oxidanyl-4,6-diphenethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-hydroxy-4,6-diphenethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-hydroxy-4,6-diphenethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-hydroxy-4,6-diphenethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-hydroxy-4,6-diphenethyl-pyridin-1-ium-3-carbonitrile Formula: C22H21N2O+ MolecularWeight: 329.41494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=[NH+]C(=C2C#N)O)CCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=[NH+]C(=C2C#N)O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O/c23-16-21-19(13-11-17-7-3-1-4-8-17)15-20(24-22(21)25)14-12-18-9-5-2-6-10-18/h1-10,15H,11-14H2,(H,24,25)/p+1