2,2-dimethyl-3-prop-2-enyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide

Systemtic Name: 2,2-dimethyl-3-prop-2-enyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Openeye Name: 3-allyl-2,2-dimethyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide CAS Name: 2,2-dimethyl-3-prop-2-enyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 2,2-dimethyl-3-prop-2-enyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Traditional Name: 3-allyl-2,2-dimethyl-1,3-dihydrobenz[f]isoindol-2-ium bromide Formula: C17H20BrN MolecularWeight: 318.2514

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2=CC3=CC=CC=C3C=C2C1CC=C)C.[Br-]

Isomeric SMILES

C[N+]1(CC2=CC3=CC=CC=C3C=C2C1CC=C)C.[Br-]

InChI

InChI=1S/C17H20N.BrH/c1-4-7-17-16-11-14-9-6-5-8-13(14)10-15(16)12-18(17,2)3;/h4-6,8-11,17H,1,7,12H2,2-3H3;1H/q+1;/p-1