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

Systemtic Name: 4-phenyl-2,2-dipropyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Openeye Name: 4-phenyl-2,2-dipropyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide CAS Name: 4-phenyl-2,2-dipropyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 4-phenyl-2,2-dipropyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Traditional Name: 4-phenyl-2,2-dipropyl-1,3-dihydrobenz[f]isoindol-2-ium bromide Formula: C24H28BrN MolecularWeight: 410.38982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N.BrH/c1-3-14-25(15-4-2)17-21-16-20-12-8-9-13-22(20)24(23(21)18-25)19-10-6-5-7-11-19;/h5-13,16H,3-4,14-15,17-18H2,1-2H3;1H/q+1;/p-1