6-chloranylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] iodide

Systemtic Name: 6-chloranylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] iodide Openeye Name: 6-chlorospiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] iodide CAS Name: 6-chlorospiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] iodide IUPAC Name: 6-chlorospiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] iodide Traditional Name: 6-chlorospiro[1,3-dihydrobenz[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] iodide Formula: C16H17ClINO MolecularWeight: 401.66975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]12CC3=C(C2)C=C4C=C(C=CC4=C3)Cl.[I-]

Isomeric SMILES

C1COCC[N+]12CC3=C(C2)C=C4C=C(C=CC4=C3)Cl.[I-]

InChI

InChI=1S/C16H17ClNO.HI/c17-16-2-1-12-7-14-10-18(3-5-19-6-4-18)11-15(14)8-13(12)9-16;/h1-2,7-9H,3-6,10-11H2;1H/q+1;/p-1