(2,2-dibutyl-1,3-dihydrobenzo[f]isoindol-2-ium-4-yl)methanol bromide

Systemtic Name: (2,2-dibutyl-1,3-dihydrobenzo[f]isoindol-2-ium-4-yl)methanol bromide Openeye Name: (2,2-dibutyl-1,3-dihydrobenzo[f]isoindol-2-ium-4-yl)methanol bromide CAS Name: (2,2-dibutyl-1,3-dihydrobenzo[f]isoindol-2-ium-4-yl)methanol bromide IUPAC Name: (2,2-dibutyl-1,3-dihydrobenzo[f]isoindol-2-ium-4-yl)methanol bromide Traditional Name: (2,2-dibutyl-1,3-dihydrobenz[f]isoindol-2-ium-4-yl)methanol bromide Formula: C21H30BrNO MolecularWeight: 392.373

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC2=CC3=CC=CC=C3C(=C2C1)CO)CCCC.[Br-]

Isomeric SMILES

CCCC[N+]1(CC2=CC3=CC=CC=C3C(=C2C1)CO)CCCC.[Br-]

InChI

InChI=1S/C21H30NO.BrH/c1-3-5-11-22(12-6-4-2)14-18-13-17-9-7-8-10-19(17)21(16-23)20(18)15-22;/h7-10,13,23H,3-6,11-12,14-16H2,1-2H3;1H/q+1;/p-1