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

Systemtic Name: 8,8-dimethyl-3-[(E)-2-phenyl-2-thiophen-2-yl-ethenyl]-8-azoniabicyclo[3.2.1]octane bromide Openeye Name: 8,8-dimethyl-3-[(E)-2-phenyl-2-(2-thienyl)vinyl]-8-azoniabicyclo[3.2.1]octane bromide CAS Name: 8,8-dimethyl-3-[(E)-2-phenyl-2-thiophen-2-ylethenyl]-8-azoniabicyclo[3.2.1]octane bromide IUPAC Name: 8,8-dimethyl-3-[(E)-2-phenyl-2-thiophen-2-ylethenyl]-8-azoniabicyclo[3.2.1]octane bromide Traditional Name: 8,8-dimethyl-3-[(E)-2-phenyl-2-(2-thienyl)vinyl]-8-azoniabicyclo[3.2.1]octane bromide Formula: C21H26BrNS MolecularWeight: 404.40684

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)C=C(C3=CC=CC=C3)C4=CC=CS4)C.[Br-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)/C=C(\C3=CC=CC=C3)/C4=CC=CS4)C.[Br-]

InChI

InChI=1S/C21H26NS.BrH/c1-22(2)18-10-11-19(22)14-16(13-18)15-20(21-9-6-12-23-21)17-7-4-3-5-8-17;/h3-9,12,15-16,18-19H,10-11,13-14H2,1-2H3;1H/q+1;/p-1/b20-15+;