(1-hex-5-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenyl-methanol bromide

Systemtic Name: (1-hex-5-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenyl-methanol bromide Openeye Name: (1-hex-5-enylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide CAS Name: (1-hex-5-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenylmethanol bromide IUPAC Name: (1-hex-5-enyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenylmethanol bromide Traditional Name: (1-hex-5-enylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide Formula: C26H34BrNO MolecularWeight: 456.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34NO.BrH/c1-2-3-4-11-19-27-20-16-25(17-21-27,18-22-27)26(28,23-12-7-5-8-13-23)24-14-9-6-10-15-24;/h2,5-10,12-15,28H,1,3-4,11,16-22H2;1H/q+1;/p-1