4-(cyclohexen-1-yl)-2,2-dimethyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide

Systemtic Name: 4-(cyclohexen-1-yl)-2,2-dimethyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Openeye Name: 4-(cyclohexen-1-yl)-2,2-dimethyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide CAS Name: 4-(1-cyclohexenyl)-2,2-dimethyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 4-(cyclohexen-1-yl)-2,2-dimethyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Traditional Name: 4-(cyclohexen-1-yl)-2,2-dimethyl-1,3-dihydrobenz[f]isoindol-2-ium bromide Formula: C20H24BrN MolecularWeight: 358.31526

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2=CC3=CC=CC=C3C(=C2C1)C4=CCCCC4)C.[Br-]

Isomeric SMILES

C[N+]1(CC2=CC3=CC=CC=C3C(=C2C1)C4=CCCCC4)C.[Br-]

InChI

InChI=1S/C20H24N.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;/h6-8,10-12H,3-5,9,13-14H2,1-2H3;1H/q+1;/p-1