9-butyl-2-ethyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-6,7-diol hydrobromide

Systemtic Name: 9-butyl-2-ethyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-6,7-diol hydrobromide Openeye Name: 9-butyl-2-ethyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-6,7-diol hydrobromide CAS Name: 9-butyl-2-ethyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-6,7-diol hydrobromide IUPAC Name: 9-butyl-2-ethyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-6,7-diol hydrobromide Traditional Name: 9-butyl-2-ethyl-1,3,3a,4,5,9b-hexahydrobenz[e]isoindole-6,7-diol hydrobromide Formula: C18H28BrNO2 MolecularWeight: 370.32442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C2=C1C3CN(CC3CC2)CC)O)O.Br

Isomeric SMILES

CCCCC1=CC(=C(C2=C1C3CN(CC3CC2)CC)O)O.Br

InChI

InChI=1S/C18H27NO2.BrH/c1-3-5-6-12-9-16(20)18(21)14-8-7-13-10-19(4-2)11-15(13)17(12)14;/h9,13,15,20-21H,3-8,10-11H2,1-2H3;1H