8-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)octanoic acid bromide

Systemtic Name: 8-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)octanoic acid bromide Openeye Name: 8-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)octanoic acid bromide CAS Name: 8-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)octanoic acid bromide IUPAC Name: 8-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)octanoic acid bromide Traditional Name: 8-(1-methyl-9H-$b-carbolin-2-ium-2-yl)caprylic acid bromide Formula: C20H25BrN2O2 MolecularWeight: 405.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCCCCCCC(=O)O.[Br-]

Isomeric SMILES

CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCCCCCCC(=O)O.[Br-]

InChI

InChI=1S/C20H24N2O2.BrH/c1-15-20-17(16-9-6-7-10-18(16)21-20)12-14-22(15)13-8-4-2-3-5-11-19(23)24;/h6-7,9-10,12,14H,2-5,8,11,13H2,1H3,(H,23,24);1H