2,2-diphenyl-4-pyridin-1-ium-1-yl-butanenitrile bromide

Systemtic Name: 2,2-diphenyl-4-pyridin-1-ium-1-yl-butanenitrile bromide Openeye Name: 2,2-diphenyl-4-pyridin-1-ium-1-yl-butanenitrile bromide CAS Name: 2,2-diphenyl-4-(1-pyridin-1-iumyl)butanenitrile bromide IUPAC Name: 2,2-diphenyl-4-pyridin-1-ium-1-ylbutanenitrile bromide Traditional Name: 2,2-diphenyl-4-pyridin-1-ium-1-yl-butyronitrile bromide Formula: C21H19BrN2 MolecularWeight: 379.29296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N2.BrH/c22-18-21(19-10-4-1-5-11-19,20-12-6-2-7-13-20)14-17-23-15-8-3-9-16-23;/h1-13,15-16H,14,17H2;1H/q+1;/p-1