tert-butyl 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethanoate bromide

Systemtic Name: tert-butyl 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethanoate bromide Openeye Name: tert-butyl 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)acetate bromide CAS Name: 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)acetic acid tert-butyl ester bromide IUPAC Name: tert-butyl 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)acetate bromide Traditional Name: 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)acetic acid tert-butyl ester bromide Formula: C23H25BrN2O2 MolecularWeight: 441.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)CC(=O)OC(C)(C)C)C)C4=CC=CC=C4N2.[Br-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)CC(=O)OC(C)(C)C)C)C4=CC=CC=C4N2.[Br-]

InChI

InChI=1S/C23H24N2O2.BrH/c1-14-18-12-25(13-20(26)27-23(3,4)5)11-10-16(18)15(2)22-21(14)17-8-6-7-9-19(17)24-22;/h6-12H,13H2,1-5H3;1H