(1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenyl-methanol bromide

Systemtic Name: (1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenyl-methanol bromide Openeye Name: (1-ethylquinuclidin-1-ium-3-yl)-diphenyl-methanol bromide CAS Name: (1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenylmethanol bromide IUPAC Name: (1-ethyl-1-azoniabicyclo[2.2.2]octan-3-yl)-diphenylmethanol bromide Traditional Name: (1-ethylquinuclidin-1-ium-3-yl)-diphenyl-methanol bromide Formula: C22H28BrNO MolecularWeight: 402.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

CC[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C22H28NO.BrH/c1-2-23-15-13-18(14-16-23)21(17-23)22(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,18,21,24H,2,13-17H2,1H3;1H/q+1;/p-1