spiro[1,3-dihydroisoindol-2-ium-2,1'-azepan-1-ium] bromide

Systemtic Name: spiro[1,3-dihydroisoindol-2-ium-2,1'-azepan-1-ium] bromide Openeye Name: spiro[1,3-dihydroisoindol-2-ium-2,1'-azepan-1-ium] bromide CAS Name: spiro[1,3-dihydroisoindol-2-ium-2,1'-azepan-1-ium] bromide IUPAC Name: spiro[1,3-dihydroisoindol-2-ium-2,1'-azepan-1-ium] bromide Traditional Name: spiro[1,3-dihydroisoindol-2-ium-2,1'-azepan-1-ium] bromide Formula: C14H20BrN MolecularWeight: 282.2193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+]2(CC1)CC3=CC=CC=C3C2.[Br-]

Isomeric SMILES

C1CCC[N+]2(CC1)CC3=CC=CC=C3C2.[Br-]

InChI

InChI=1S/C14H20N.BrH/c1-2-6-10-15(9-5-1)11-13-7-3-4-8-14(13)12-15;/h3-4,7-8H,1-2,5-6,9-12H2;1H/q+1;/p-1