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

Systemtic Name: (1-pent-4-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenyl-methanol bromide Openeye Name: (1-pent-4-enylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide CAS Name: (1-pent-4-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenylmethanol bromide IUPAC Name: (1-pent-4-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenylmethanol bromide Traditional Name: (1-pent-4-enylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide Formula: C25H32BrNO MolecularWeight: 442.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32NO.BrH/c1-2-3-10-18-26-19-15-24(16-20-26,17-21-26)25(27,22-11-6-4-7-12-22)23-13-8-5-9-14-23;/h2,4-9,11-14,27H,1,3,10,15-21H2;1H/q+1;/p-1