7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide

Systemtic Name: 7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide Openeye Name: 7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide CAS Name: 7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide IUPAC Name: 7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol bromide Traditional Name: 7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinolin-7-ium-2,9-diol bromide Formula: C18H20BrNO2 MolecularWeight: 362.2609

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC3=C(C1CC4=C(C2)C(=CC=C4)O)C=C(C=C3)O.[Br-]

Isomeric SMILES

C[N+]12CCC3=C(C1CC4=C(C2)C(=CC=C4)O)C=C(C=C3)O.[Br-]

InChI

InChI=1S/C18H19NO2.BrH/c1-19-8-7-12-5-6-14(20)10-15(12)17(19)9-13-3-2-4-18(21)16(13)11-19;/h2-6,10,17H,7-9,11H2,1H3,(H-,20,21);1H