spiro[1,3,3a,4-tetrahydroisoindol-2-ium-2,1'-azinan-1-ium] bromide

Systemtic Name: spiro[1,3,3a,4-tetrahydroisoindol-2-ium-2,1'-azinan-1-ium] bromide Openeye Name: spiro[1,3,3a,4-tetrahydroisoindol-2-ium-2,1'-azinan-1-ium] bromide CAS Name: spiro[1,3,3a,4-tetrahydroisoindol-2-ium-2,1'-azinan-1-ium] bromide IUPAC Name: spiro[1,3,3a,4-tetrahydroisoindol-2-ium-2,1'-azinan-1-ium] bromide Traditional Name: spiro[1,3,3a,4-tetrahydroisoindol-2-ium-2,1'-azinan-1-ium] bromide Formula: C13H20BrN MolecularWeight: 270.2086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(CC1)CC3CC=CC=C3C2.[Br-]

Isomeric SMILES

C1CC[N+]2(CC1)CC3CC=CC=C3C2.[Br-]

InChI

InChI=1S/C13H20N.BrH/c1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)11-14;/h2-3,6,13H,1,4-5,7-11H2;1H/q+1;/p-1