(9aS)-2,2-dimethyl-4-prop-2-enyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium

Systemtic Name: (9aS)-2,2-dimethyl-4-prop-2-enyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium Openeye Name: (9aS)-4-allyl-2,2-dimethyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium CAS Name: (9aS)-2,2-dimethyl-4-prop-2-enyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium IUPAC Name: (9aS)-2,2-dimethyl-4-prop-2-enyl-1,3,9,9a-tetrahydrobenzo[f]isoindol-2-ium Traditional Name: (9aS)-4-allyl-2,2-dimethyl-1,3,9,9a-tetrahydrobenz[f]isoindol-2-ium Formula: C17H22N+ MolecularWeight: 240.36328

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CC3=CC=CC=C3C(=C2C1)CC=C)C

Isomeric SMILES

C[N+]1(C[C@H]2CC3=CC=CC=C3C(=C2C1)CC=C)C

InChI

InChI=1S/C17H22N/c1-4-7-16-15-9-6-5-8-13(15)10-14-11-18(2,3)12-17(14)16/h4-6,8-9,14H,1,7,10-12H2,2-3H3/q+1/t14-/m1/s1