2-methyl-4-phenyl-2-prop-2-enyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide

Systemtic Name: 2-methyl-4-phenyl-2-prop-2-enyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Openeye Name: 2-allyl-2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide CAS Name: 2-methyl-4-phenyl-2-prop-2-enyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 2-methyl-4-phenyl-2-prop-2-enyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Traditional Name: 2-allyl-2-methyl-4-phenyl-1,3-dihydrobenz[f]isoindol-2-ium bromide Formula: C22H22BrN MolecularWeight: 380.32078

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)CC=C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N.BrH/c1-3-13-23(2)15-19-14-18-11-7-8-12-20(18)22(21(19)16-23)17-9-5-4-6-10-17;/h3-12,14H,1,13,15-16H2,2H3;1H/q+1;/p-1