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

Systemtic Name: (1-nonyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenyl-methanol bromide Openeye Name: (1-nonylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide CAS Name: (1-nonyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenylmethanol bromide IUPAC Name: (1-nonyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenylmethanol bromide Traditional Name: (1-nonylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide Formula: C29H42BrNO MolecularWeight: 500.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42NO.BrH/c1-2-3-4-5-6-7-14-22-30-23-19-28(20-24-30,21-25-30)29(31,26-15-10-8-11-16-26)27-17-12-9-13-18-27;/h8-13,15-18,31H,2-7,14,19-25H2,1H3;1H/q+1;/p-1