2,2-diethyl-6-methyl-4-(4-methylphenyl)-1,3-dihydrobenzo[f]isoindol-2-ium bromide

Systemtic Name: 2,2-diethyl-6-methyl-4-(4-methylphenyl)-1,3-dihydrobenzo[f]isoindol-2-ium bromide Openeye Name: 2,2-diethyl-6-methyl-4-(p-tolyl)-1,3-dihydrobenzo[f]isoindol-2-ium bromide CAS Name: 2,2-diethyl-6-methyl-4-(4-methylphenyl)-1,3-dihydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 2,2-diethyl-6-methyl-4-(4-methylphenyl)-1,3-dihydrobenzo[f]isoindol-2-ium bromide Traditional Name: 2,2-diethyl-6-methyl-4-(p-tolyl)-1,3-dihydrobenz[f]isoindol-2-ium bromide Formula: C24H28BrN MolecularWeight: 410.38982

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC2=C(C1)C(=C3C=C(C=CC3=C2)C)C4=CC=C(C=C4)C)CC.[Br-]

Isomeric SMILES

CC[N+]1(CC2=C(C1)C(=C3C=C(C=CC3=C2)C)C4=CC=C(C=C4)C)CC.[Br-]

InChI

InChI=1S/C24H28N.BrH/c1-5-25(6-2)15-21-14-20-12-9-18(4)13-22(20)24(23(21)16-25)19-10-7-17(3)8-11-19;/h7-14H,5-6,15-16H2,1-4H3;1H/q+1;/p-1