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

Systemtic Name: 2-(1-nonyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenyl-ethanenitrile bromide Openeye Name: 2-(1-nonylquinuclidin-1-ium-4-yl)-2,2-diphenyl-acetonitrile bromide CAS Name: 2-(1-nonyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenylacetonitrile bromide IUPAC Name: 2-(1-nonyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenylacetonitrile bromide Traditional Name: 2-(1-nonylquinuclidin-1-ium-4-yl)-2,2-diphenyl-acetonitrile bromide Formula: C30H41BrN2 MolecularWeight: 509.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+]12CCC(CC1)(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCCCCCC[N+]12CCC(CC1)(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C30H41N2.BrH/c1-2-3-4-5-6-7-14-22-32-23-19-29(20-24-32,21-25-32)30(26-31,27-15-10-8-11-16-27)28-17-12-9-13-18-28;/h8-13,15-18H,2-7,14,19-25H2,1H3;1H/q+1;/p-1