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

Systemtic Name: 2-(1-pent-4-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenyl-ethanenitrile Openeye Name: 2-(1-pent-4-enylquinuclidin-1-ium-4-yl)-2,2-diphenyl-acetonitrile CAS Name: 2-(1-pent-4-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenylacetonitrile IUPAC Name: 2-(1-pent-4-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenylacetonitrile Traditional Name: 2-(1-pent-4-enylquinuclidin-1-ium-4-yl)-2,2-diphenyl-acetonitrile Formula: C26H31N2+ MolecularWeight: 371.53774

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC[N+]12CCC(CC1)(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCCC[N+]12CCC(CC1)(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N2/c1-2-3-10-18-28-19-15-25(16-20-28,17-21-28)26(22-27,23-11-6-4-7-12-23)24-13-8-5-9-14-24/h2,4-9,11-14H,1,3,10,15-21H2/q+1