2,2-diphenyl-2-[1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]ethanenitrile

Systemtic Name: 2,2-diphenyl-2-[1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]ethanenitrile Openeye Name: 2-(1-benzyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-2,2-diphenyl-acetonitrile CAS Name: 2,2-diphenyl-2-[1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]acetonitrile IUPAC Name: 2-(1-benzyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-2,2-diphenylacetonitrile Traditional Name: 2-(1-benzyl-1-azoniabicyclo[2.2.1]heptan-4-yl)-2,2-diphenyl-acetonitrile Formula: C27H27N2+ MolecularWeight: 379.51668

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N2/c28-21-27(24-12-6-2-7-13-24,25-14-8-3-9-15-25)26-16-18-29(22-26,19-17-26)20-23-10-4-1-5-11-23/h1-15H,16-20,22H2/q+1