11-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)undecanoic acid bromide

Systemtic Name: 11-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)undecanoic acid bromide Openeye Name: 11-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)undecanoic acid bromide CAS Name: 11-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)undecanoic acid bromide IUPAC Name: 11-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)undecanoic acid bromide Traditional Name: 11-(1-methyl-9H-$b-carbolin-2-ium-2-yl)undecanoic acid bromide Formula: C23H31BrN2O2 MolecularWeight: 447.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2.BrH/c1-18-23-20(19-12-9-10-13-21(19)24-23)15-17-25(18)16-11-7-5-3-2-4-6-8-14-22(26)27;/h9-10,12-13,15,17H,2-8,11,14,16H2,1H3,(H,26,27);1H