2,2-dimethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide

Systemtic Name: 2,2-dimethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Openeye Name: 2,2-dimethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide CAS Name: 2,2-dimethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 2,2-dimethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Traditional Name: 2,2-dimethyl-4-phenyl-1,3-dihydrobenz[f]isoindol-2-ium bromide Formula: C20H20BrN MolecularWeight: 354.2835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2=CC3=CC=CC=C3C(=C2C1)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

C[N+]1(CC2=CC3=CC=CC=C3C(=C2C1)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C20H20N.BrH/c1-21(2)13-17-12-16-10-6-7-11-18(16)20(19(17)14-21)15-8-4-3-5-9-15;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1