2-hexadecyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide

Systemtic Name: 2-hexadecyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide Openeye Name: 2-hexadecyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide CAS Name: 2-hexadecyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide IUPAC Name: 2-hexadecyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide Traditional Name: 2-cetyl-3,4-dihydro-1H-isoquinoline-6,7-diol hydrobromide Formula: C25H44BrNO2 MolecularWeight: 470.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CCC2=CC(=C(C=C2C1)O)O.Br

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CCC2=CC(=C(C=C2C1)O)O.Br

InChI

InChI=1S/C25H43NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-18-16-22-19-24(27)25(28)20-23(22)21-26;/h19-20,27-28H,2-18,21H2,1H3;1H