2-(5,11-dimethyl-9-oxidanyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxane-3,4,5-triol bromide

Systemtic Name: 2-(5,11-dimethyl-9-oxidanyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxane-3,4,5-triol bromide Openeye Name: 2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)tetrahydropyran-3,4,5-triol bromide CAS Name: 2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxane-3,4,5-triol bromide IUPAC Name: 2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxane-3,4,5-triol bromide Traditional Name: 2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)tetrahydropyran-3,4,5-triol bromide Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)C4C(C(C(CO4)O)O)O)C)C5=C(N2)C=CC(=C5)O.[Br-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)C4C(C(C(CO4)O)O)O)C)C5=C(N2)C=CC(=C5)O.[Br-]

InChI

InChI=1S/C22H22N2O5.BrH/c1-10-15-8-24(22-21(28)20(27)17(26)9-29-22)6-5-13(15)11(2)19-18(10)14-7-12(25)3-4-16(14)23-19;/h3-8,17,20-22,25-28H,9H2,1-2H3;1H