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

Systemtic Name: 4-phenylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] bromide Openeye Name: 4-phenylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] bromide CAS Name: 4-phenylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] bromide IUPAC Name: 4-phenylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] bromide Traditional Name: 4-phenylspiro[1,3-dihydrobenz[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] bromide Formula: C22H22BrNO MolecularWeight: 396.32018

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]12CC3=CC4=CC=CC=C4C(=C3C2)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1COCC[N+]12CC3=CC4=CC=CC=C4C(=C3C2)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C22H22NO.BrH/c1-2-6-17(7-3-1)22-20-9-5-4-8-18(20)14-19-15-23(16-21(19)22)10-12-24-13-11-23;/h1-9,14H,10-13,15-16H2;1H/q+1;/p-1