methyl 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)octanoate bromide

Systemtic Name: methyl 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)octanoate bromide Openeye Name: methyl 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)octanoate bromide CAS Name: 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)octanoic acid methyl ester bromide IUPAC Name: methyl 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)octanoate bromide Traditional Name: 8-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)caprylic acid methyl ester bromide Formula: C26H31BrN2O2 MolecularWeight: 483.44054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2.BrH/c1-18-22-17-28(15-10-6-4-5-7-13-24(29)30-3)16-14-20(22)19(2)26-25(18)21-11-8-9-12-23(21)27-26;/h8-9,11-12,14,16-17H,4-7,10,13,15H2,1-3H3;1H