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

Systemtic Name: 6,9-bis(chloranyl)-2,2-diethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Openeye Name: 6,9-dichloro-2,2-diethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide CAS Name: 6,9-dichloro-2,2-diethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 6,9-dichloro-2,2-diethyl-4-phenyl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Traditional Name: 6,9-dichloro-2,2-diethyl-4-phenyl-1,3-dihydrobenz[f]isoindol-2-ium bromide Formula: C22H22BrCl2N MolecularWeight: 451.22678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22Cl2N.BrH/c1-3-25(4-2)13-19-20(14-25)22(24)17-11-10-16(23)12-18(17)21(19)15-8-6-5-7-9-15;/h5-12H,3-4,13-14H2,1-2H3;1H/q+1;/p-1