4,6-bis(chloranyl)-2,2-dimethyl-9-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide

Systemtic Name: 4,6-bis(chloranyl)-2,2-dimethyl-9-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Openeye Name: 4,6-dichloro-2,2-dimethyl-9-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide CAS Name: 4,6-dichloro-2,2-dimethyl-9-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 4,6-dichloro-2,2-dimethyl-9-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Traditional Name: 4,6-dichloro-2,2-dimethyl-9-phenyl-1,3-dihydrobenz[f]isoindol-2-ium bromide Formula: C20H18BrCl2N MolecularWeight: 423.17362

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2=C(C3=C(C=C(C=C3)Cl)C(=C2C1)Cl)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

C[N+]1(CC2=C(C3=C(C=C(C=C3)Cl)C(=C2C1)Cl)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C20H18Cl2N.BrH/c1-23(2)11-17-18(12-23)20(22)16-10-14(21)8-9-15(16)19(17)13-6-4-3-5-7-13;/h3-10H,11-12H2,1-2H3;1H/q+1;/p-1