8,8-dimethyl-3-[(Z)-2-phenyl-2-pyridin-2-yl-ethenyl]-8-azoniabicyclo[3.2.1]octane bromide

Systemtic Name: 8,8-dimethyl-3-[(Z)-2-phenyl-2-pyridin-2-yl-ethenyl]-8-azoniabicyclo[3.2.1]octane bromide Openeye Name: 8,8-dimethyl-3-[(Z)-2-phenyl-2-(2-pyridyl)vinyl]-8-azoniabicyclo[3.2.1]octane bromide CAS Name: 8,8-dimethyl-3-[(Z)-2-phenyl-2-(2-pyridinyl)ethenyl]-8-azoniabicyclo[3.2.1]octane bromide IUPAC Name: 8,8-dimethyl-3-[(Z)-2-phenyl-2-pyridin-2-ylethenyl]-8-azoniabicyclo[3.2.1]octane bromide Traditional Name: 8,8-dimethyl-3-[(Z)-2-phenyl-2-(2-pyridyl)vinyl]-8-azoniabicyclo[3.2.1]octane bromide Formula: C22H27BrN2 MolecularWeight: 399.36718

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)C=C(C3=CC=CC=C3)C4=CC=CC=N4)C.[Br-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)/C=C(/C3=CC=CC=C3)\C4=CC=CC=N4)C.[Br-]

InChI

InChI=1S/C22H27N2.BrH/c1-24(2)19-11-12-20(24)15-17(14-19)16-21(18-8-4-3-5-9-18)22-10-6-7-13-23-22;/h3-10,13,16-17,19-20H,11-12,14-15H2,1-2H3;1H/q+1;/p-1/b21-16-;