2-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-1,1-bis(5-fluoranyl-2-methyl-phenyl)ethanol bromide

Systemtic Name: 2-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-1,1-bis(5-fluoranyl-2-methyl-phenyl)ethanol bromide Openeye Name: 2-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-1,1-bis(5-fluoro-2-methyl-phenyl)ethanol bromide CAS Name: 2-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-1,1-bis(5-fluoro-2-methylphenyl)ethanol bromide IUPAC Name: 2-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-1,1-bis(5-fluoro-2-methylphenyl)ethanol bromide Traditional Name: 2-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-1,1-bis(5-fluoro-2-methyl-phenyl)ethanol bromide Formula: C25H32BrF2NO MolecularWeight: 480.428486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)C(CC2CC3CCC(C2)[N+]3(C)C)(C4=C(C=CC(=C4)F)C)O.[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)F)C(CC2C[C@H]3CC[C@@H](C2)[N+]3(C)C)(C4=C(C=CC(=C4)F)C)O.[Br-]

InChI

InChI=1S/C25H32F2NO.BrH/c1-16-5-7-19(26)13-23(16)25(29,24-14-20(27)8-6-17(24)2)15-18-11-21-9-10-22(12-18)28(21,3)4;/h5-8,13-14,18,21-22,29H,9-12,15H2,1-4H3;1H/q+1;/p-1/t18?,21-,22+;