7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol bromide

Systemtic Name: 7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol bromide Openeye Name: 7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol bromide CAS Name: 7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol bromide IUPAC Name: 7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3,10-diol bromide Traditional Name: 7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinolin-7-ium-3,10-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=C(C=C4)O)C=CC(=C3)O.[Br-]

Isomeric SMILES

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

InChI

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