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

Systemtic Name: (2,2-diethyl-1,3-dihydrobenzo[f]isoindol-2-ium-4-yl)methanol bromide Openeye Name: (2,2-diethyl-1,3-dihydrobenzo[f]isoindol-2-ium-4-yl)methanol bromide CAS Name: (2,2-diethyl-1,3-dihydrobenzo[f]isoindol-2-ium-4-yl)methanol bromide IUPAC Name: (2,2-diethyl-1,3-dihydrobenzo[f]isoindol-2-ium-4-yl)methanol bromide Traditional Name: (2,2-diethyl-1,3-dihydrobenz[f]isoindol-2-ium-4-yl)methanol bromide Formula: C17H22BrNO MolecularWeight: 336.26668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22NO.BrH/c1-3-18(4-2)10-14-9-13-7-5-6-8-15(13)17(12-19)16(14)11-18;/h5-9,19H,3-4,10-12H2,1-2H3;1H/q+1;/p-1