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

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenyl-methanol bromide Openeye Name: (1-methylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide CAS Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenylmethanol bromide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-4-yl)-diphenylmethanol bromide Traditional Name: (1-methylquinuclidin-1-ium-4-yl)-diphenyl-methanol bromide Formula: C21H26BrNO MolecularWeight: 388.34124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO.BrH/c1-22-15-12-20(13-16-22,14-17-22)21(23,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,23H,12-17H2,1H3;1H/q+1;/p-1