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

Systemtic Name: 6-methylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide Openeye Name: 6-methylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide CAS Name: 6-methylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide IUPAC Name: 6-methylspiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide Traditional Name: 6-methylspiro[1,3-dihydrobenz[f]isoindol-2-ium-2,1'-azinan-1-ium] bromide Formula: C18H22BrN MolecularWeight: 332.27798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C[N+]4(C3)CCCCC4)C=C2C=C1.[Br-]

Isomeric SMILES

CC1=CC2=CC3=C(C[N+]4(C3)CCCCC4)C=C2C=C1.[Br-]

InChI

InChI=1S/C18H22N.BrH/c1-14-5-6-15-10-17-12-19(7-3-2-4-8-19)13-18(17)11-16(15)9-14;/h5-6,9-11H,2-4,7-8,12-13H2,1H3;1H/q+1;/p-1