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

Systemtic Name: 3-[(5,11-dimethyl-9-oxidanyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxy]butan-2-one bromide Openeye Name: 3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxy]butan-2-one bromide CAS Name: 3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxy]-2-butanone bromide IUPAC Name: 3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxy]butan-2-one bromide Traditional Name: 3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxy]butan-2-one bromide Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)OC(C)C(=O)C)C)C4=C(N2)C=CC(=C4)O.[Br-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)OC(C)C(=O)C)C)C4=C(N2)C=CC(=C4)O.[Br-]

InChI

InChI=1S/C21H20N2O3.BrH/c1-11-18-10-23(26-14(4)13(3)24)8-7-16(18)12(2)21-20(11)17-9-15(25)5-6-19(17)22-21;/h5-10,14,25H,1-4H3;1H