2,2-diphenyl-2-[1-(3-phenylpropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]ethanenitrile

Systemtic Name: 2,2-diphenyl-2-[1-(3-phenylpropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]ethanenitrile Openeye Name: 2,2-diphenyl-2-[1-(3-phenylpropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]acetonitrile CAS Name: 2,2-diphenyl-2-[1-(3-phenylpropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]acetonitrile IUPAC Name: 2,2-diphenyl-2-[1-(3-phenylpropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]acetonitrile Traditional Name: 2,2-diphenyl-2-[1-(3-phenylpropyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]acetonitrile Formula: C29H31N2+ MolecularWeight: 407.56984

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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)CCCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C29H31N2/c30-23-29(26-14-6-2-7-15-26,27-16-8-3-9-17-27)28-18-21-31(24-28,22-19-28)20-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17H,10,13,18-22,24H2/q+1