6-chloranylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide

Systemtic Name: 6-chloranylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide Openeye Name: 6-chlorospiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide CAS Name: 6-chlorospiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide IUPAC Name: 6-chlorospiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide Traditional Name: 6-chlorospiro[1,3-dihydrobenz[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide Formula: C17H19BrClN MolecularWeight: 352.69646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(CC1)CC3=C(C2)C=C4C=C(C=CC4=C3)Cl.[Br-]

Isomeric SMILES

C1CC[N+]2(CC1)CC3=C(C2)C=C4C=C(C=CC4=C3)Cl.[Br-]

InChI

InChI=1S/C17H19ClN.BrH/c18-17-5-4-13-8-15-11-19(6-2-1-3-7-19)12-16(15)9-14(13)10-17;/h4-5,8-10H,1-3,6-7,11-12H2;1H/q+1;/p-1