2,2-dimethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium iodide

Systemtic Name: 2,2-dimethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium iodide Openeye Name: 2,2-dimethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium iodide CAS Name: 2,2-dimethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium iodide IUPAC Name: 2,2-dimethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium iodide Traditional Name: 2,2-dimethyl-4-phenyl-1,3-dihydrobenz[f]isoindol-2-ium iodide Formula: C20H20IN MolecularWeight: 401.28397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N.HI/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;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1