4-phenylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azolidin-1-ium] bromide

Systemtic Name: 4-phenylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azolidin-1-ium] bromide Openeye Name: 4-phenylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azolidin-1-ium] bromide CAS Name: 4-phenylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azolidin-1-ium] bromide IUPAC Name: 4-phenylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azolidin-1-ium] bromide Traditional Name: 4-phenylspiro[1,3-dihydrobenz[f]isoindol-2-ium-2,1'-azolidin-1-ium] bromide Formula: C22H22BrN MolecularWeight: 380.32078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(C1)CC3=CC4=CC=CC=C4C(=C3C2)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1CC[N+]2(C1)CC3=CC4=CC=CC=C4C(=C3C2)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C22H22N.BrH/c1-2-8-17(9-3-1)22-20-11-5-4-10-18(20)14-19-15-23(16-21(19)22)12-6-7-13-23;/h1-5,8-11,14H,6-7,12-13,15-16H2;1H/q+1;/p-1