diphenyl-(1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)methanol bromide

Systemtic Name: diphenyl-(1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)methanol bromide Openeye Name: (1-allylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide CAS Name: diphenyl-(1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)methanol bromide IUPAC Name: diphenyl-(1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)methanol bromide Traditional Name: (1-allylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide Formula: C23H28BrNO MolecularWeight: 414.37852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28NO.BrH/c1-2-16-24-17-13-22(14-18-24,15-19-24)23(25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h2-12,25H,1,13-19H2;1H/q+1;/p-1