spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium]-4-ylmethanol bromide

Systemtic Name: spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium]-4-ylmethanol bromide Openeye Name: spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium]-4-ylmethanol bromide CAS Name: 4-spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium]ylmethanol bromide IUPAC Name: spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium]-4-ylmethanol bromide Traditional Name: spiro[1,3-dihydrobenz[f]isoindol-2-ium-2,1'-azinan-1-ium]-4-ylmethanol bromide Formula: C18H22BrNO MolecularWeight: 348.27738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(CC1)CC3=CC4=CC=CC=C4C(=C3C2)CO.[Br-]

Isomeric SMILES

C1CC[N+]2(CC1)CC3=CC4=CC=CC=C4C(=C3C2)CO.[Br-]

InChI

InChI=1S/C18H22NO.BrH/c20-13-18-16-7-3-2-6-14(16)10-15-11-19(12-17(15)18)8-4-1-5-9-19;/h2-3,6-7,10,20H,1,4-5,8-9,11-13H2;1H/q+1;/p-1