2,2-dimethyl-1,3,5,6,7,8-hexahydrobenzo[f]isoindol-2-ium bromide

Systemtic Name: 2,2-dimethyl-1,3,5,6,7,8-hexahydrobenzo[f]isoindol-2-ium bromide Openeye Name: 2,2-dimethyl-1,3,5,6,7,8-hexahydrobenzo[f]isoindol-2-ium bromide CAS Name: 2,2-dimethyl-1,3,5,6,7,8-hexahydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 2,2-dimethyl-1,3,5,6,7,8-hexahydrobenzo[f]isoindol-2-ium bromide Traditional Name: 2,2-dimethyl-1,3,5,6,7,8-hexahydrobenz[f]isoindol-2-ium bromide Formula: C14H20BrN MolecularWeight: 282.2193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2=C(C1)C=C3CCCCC3=C2)C.[Br-]

Isomeric SMILES

C[N+]1(CC2=C(C1)C=C3CCCCC3=C2)C.[Br-]

InChI

InChI=1S/C14H20N.BrH/c1-15(2)9-13-7-11-5-3-4-6-12(11)8-14(13)10-15;/h7-8H,3-6,9-10H2,1-2H3;1H/q+1;/p-1