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

Systemtic Name: methyl 5-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)pentanoate bromide Openeye Name: methyl 5-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)pentanoate bromide CAS Name: 5-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)pentanoic acid methyl ester bromide IUPAC Name: methyl 5-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)pentanoate bromide Traditional Name: 5-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)valeric acid methyl 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)CCCCC(=O)OC)C)C4=CC=CC=C4N2.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2.BrH/c1-15-19-14-25(12-7-6-10-21(26)27-3)13-11-17(19)16(2)23-22(15)18-8-4-5-9-20(18)24-23;/h4-5,8-9,11,13-14H,6-7,10,12H2,1-3H3;1H