3-[1-[2-(4-chlorophenyl)ethyl]pyridin-1-ium-2-yl]-2,2-diphenyl-propanenitrile bromide

Systemtic Name: 3-[1-[2-(4-chlorophenyl)ethyl]pyridin-1-ium-2-yl]-2,2-diphenyl-propanenitrile bromide Openeye Name: 3-[1-[2-(4-chlorophenyl)ethyl]pyridin-1-ium-2-yl]-2,2-diphenyl-propanenitrile bromide CAS Name: 3-[1-[2-(4-chlorophenyl)ethyl]-2-pyridin-1-iumyl]-2,2-diphenylpropanenitrile bromide IUPAC Name: 3-[1-[2-(4-chlorophenyl)ethyl]pyridin-1-ium-2-yl]-2,2-diphenylpropanenitrile bromide Traditional Name: 3-[1-[2-(4-chlorophenyl)ethyl]pyridin-1-ium-2-yl]-2,2-diphenyl-propionitrile bromide Formula: C28H24BrClN2 MolecularWeight: 503.86056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=CC=CC=[N+]2CCC3=CC=C(C=C3)Cl)(C#N)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=CC=CC=[N+]2CCC3=CC=C(C=C3)Cl)(C#N)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H24ClN2.BrH/c29-26-16-14-23(15-17-26)18-20-31-19-8-7-13-27(31)21-28(22-30,24-9-3-1-4-10-24)25-11-5-2-6-12-25;/h1-17,19H,18,20-21H2;1H/q+1;/p-1