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

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

Systemtic Name:(1-hexyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenyl-methanol bromide
Openeye Name:(1-hexylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide
CAS Name:(1-hexyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenylmethanol bromide
IUPAC Name:(1-hexyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenylmethanol bromide
Traditional Name:(1-hexylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide
Formula: C26H36BrNO
MolecularWeight: 458.47414
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H36NO.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;/h5-10,12-15,28H,2-4,11,16-22H2,1H3;1H/q+1;/p-1


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