(1S)-1-(6-bromanyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: (1S)-1-(6-bromanyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: (1S)-1-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: (1S)-1-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: (1S)-1-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: (1S)-1-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C16H14BrNO4 MolecularWeight: 364.19066

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)C3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1CN[C@@H](C2=CC(=C(C=C21)O)O)C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C16H14BrNO4/c17-11-6-15-14(21-7-22-15)5-10(11)16-9-4-13(20)12(19)3-8(9)1-2-18-16/h3-6,16,18-20H,1-2,7H2/t16-/m0/s1