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

Systemtic Name: 6-methylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] bromide Openeye Name: 6-methylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] bromide CAS Name: 6-methylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] bromide IUPAC Name: 6-methylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] bromide Traditional Name: 6-methylspiro[1,3-dihydrobenz[f]isoindol-2-ium-2,4'-1,4-oxazinan-4-ium] bromide Formula: C17H20BrNO MolecularWeight: 334.2508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C[N+]4(C3)CCOCC4)C=C2C=C1.[Br-]

Isomeric SMILES

CC1=CC2=CC3=C(C[N+]4(C3)CCOCC4)C=C2C=C1.[Br-]

InChI

InChI=1S/C17H20NO.BrH/c1-13-2-3-14-9-16-11-18(4-6-19-7-5-18)12-17(16)10-15(14)8-13;/h2-3,8-10H,4-7,11-12H2,1H3;1H/q+1;/p-1