3,3-dimethyl-1-oxidanyl-butan-2-one; 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; bromide

Systemtic Name: 3,3-dimethyl-1-oxidanyl-butan-2-one; 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; bromide Openeye Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; 1-hydroxy-3,3-dimethyl-butan-2-one; bromide CAS Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; 1-hydroxy-3,3-dimethyl-2-butanone; bromide IUPAC Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; 1-hydroxy-3,3-dimethylbutan-2-one; bromide Traditional Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; 1-hydroxy-3,3-dimethyl-butan-2-one; bromide Formula: C23H27BrN2O3 MolecularWeight: 459.37608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O.C6H12O2.BrH/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;1-6(2,3)5(8)4-7;/h3-8,19-20H,1-2H3;7H,4H2,1-3H3;1H