4-naphthalen-1-ylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide

Systemtic Name: 4-naphthalen-1-ylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide Openeye Name: 4-(1-naphthyl)spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide CAS Name: 4-(1-naphthalenyl)spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide IUPAC Name: 4-naphthalen-1-ylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide Traditional Name: 4-(1-naphthyl)spiro[1,3-dihydrobenz[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide Formula: C27H26BrN MolecularWeight: 444.40604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(CC1)CC3=CC4=CC=CC=C4C(=C3C2)C5=CC=CC6=CC=CC=C65.[Br-]

Isomeric SMILES

C1CC[N+]2(CC1)CC3=CC4=CC=CC=C4C(=C3C2)C5=CC=CC6=CC=CC=C65.[Br-]

InChI

InChI=1S/C27H26N.BrH/c1-6-15-28(16-7-1)18-22-17-21-10-3-5-13-24(21)27(26(22)19-28)25-14-8-11-20-9-2-4-12-23(20)25;/h2-5,8-14,17H,1,6-7,15-16,18-19H2;1H/q+1;/p-1