3-(2,2-dithiophen-2-ylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide

Systemtic Name: 3-(2,2-dithiophen-2-ylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide Openeye Name: 3-[2,2-bis(2-thienyl)vinyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide CAS Name: 3-(2,2-dithiophen-2-ylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide IUPAC Name: 3-(2,2-dithiophen-2-ylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide Traditional Name: 3-[2,2-bis(2-thienyl)vinyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide Formula: C19H24BrNS2 MolecularWeight: 410.43456

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)C=C(C3=CC=CS3)C4=CC=CS4)C.[Br-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)C=C(C3=CC=CS3)C4=CC=CS4)C.[Br-]

InChI

InChI=1S/C19H24NS2.BrH/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19;/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3;1H/q+1;/p-1