2,2-diethyl-4-naphthalen-1-yl-1,3-dihydrobenzo[f]isoindol-2-ium bromide

Systemtic Name: 2,2-diethyl-4-naphthalen-1-yl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Openeye Name: 2,2-diethyl-4-(1-naphthyl)-1,3-dihydrobenzo[f]isoindol-2-ium bromide CAS Name: 2,2-diethyl-4-(1-naphthalenyl)-1,3-dihydrobenzo[f]isoindol-2-ium bromide IUPAC Name: 2,2-diethyl-4-naphthalen-1-yl-1,3-dihydrobenzo[f]isoindol-2-ium bromide Traditional Name: 2,2-diethyl-4-(1-naphthyl)-1,3-dihydrobenz[f]isoindol-2-ium bromide Formula: C26H26BrN MolecularWeight: 432.39534

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC2=CC3=CC=CC=C3C(=C2C1)C4=CC=CC5=CC=CC=C54)CC.[Br-]

Isomeric SMILES

CC[N+]1(CC2=CC3=CC=CC=C3C(=C2C1)C4=CC=CC5=CC=CC=C54)CC.[Br-]

InChI

InChI=1S/C26H26N.BrH/c1-3-27(4-2)17-21-16-20-11-6-8-14-23(20)26(25(21)18-27)24-15-9-12-19-10-5-7-13-22(19)24;/h5-16H,3-4,17-18H2,1-2H3;1H/q+1;/p-1