2,2-dimethyl-3-prop-2-enyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium bromide

Systemtic Name: 2,2-dimethyl-3-prop-2-enyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium bromide Openeye Name: 3-allyl-2,2-dimethyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium bromide CAS Name: 2,2-dimethyl-3-prop-2-enyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 2,2-dimethyl-3-prop-2-enyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium bromide Traditional Name: 3-allyl-2,2-dimethyl-1,3,9,9a-tetrahydrobenz[f]isoindol-2-ium bromide Formula: C17H22BrN MolecularWeight: 320.26728

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CC3=CC=CC=C3C=C2C1CC=C)C.[Br-]

Isomeric SMILES

C[N+]1(CC2CC3=CC=CC=C3C=C2C1CC=C)C.[Br-]

InChI

InChI=1S/C17H22N.BrH/c1-4-7-17-16-11-14-9-6-5-8-13(14)10-15(16)12-18(17,2)3;/h4-6,8-9,11,15,17H,1,7,10,12H2,2-3H3;1H/q+1;/p-1