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

Systemtic Name: 2,2-diphenyl-3-[1-(phenylmethyl)pyridin-1-ium-4-yl]propanenitrile bromide Openeye Name: 3-(1-benzylpyridin-1-ium-4-yl)-2,2-diphenyl-propanenitrile bromide CAS Name: 2,2-diphenyl-3-[1-(phenylmethyl)-4-pyridin-1-iumyl]propanenitrile bromide IUPAC Name: 3-(1-benzylpyridin-1-ium-4-yl)-2,2-diphenylpropanenitrile bromide Traditional Name: 3-(1-benzylpyridin-1-ium-4-yl)-2,2-diphenyl-propionitrile bromide Formula: C27H23BrN2 MolecularWeight: 455.38892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H23N2.BrH/c28-22-27(25-12-6-2-7-13-25,26-14-8-3-9-15-26)20-23-16-18-29(19-17-23)21-24-10-4-1-5-11-24;/h1-19H,20-21H2;1H/q+1;/p-1