2-(1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenyl-ethanenitrile

Systemtic Name: 2-(1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenyl-ethanenitrile Openeye Name: 2,2-diphenyl-2-quinuclidin-1-ium-4-yl-acetonitrile CAS Name: 2-(1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenylacetonitrile IUPAC Name: 2-(1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenylacetonitrile Traditional Name: 2,2-diphenyl-2-quinuclidin-1-ium-4-yl-acetonitrile Formula: C21H23N2+ MolecularWeight: 303.42072

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+]2CCC1(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20-11-14-23(15-12-20)16-13-20/h1-10H,11-16H2/p+1