15-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentadecanoic acid bromide

Systemtic Name: 15-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentadecanoic acid bromide Openeye Name: 15-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentadecanoic acid bromide CAS Name: 15-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentadecanoic acid bromide IUPAC Name: 15-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentadecanoic acid bromide Traditional Name: 15-(1-methyl-9H-$b-carbolin-2-ium-2-yl)pentadecanoic acid bromide Formula: C27H39BrN2O2 MolecularWeight: 503.51476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O2.BrH/c1-22-27-24(23-16-13-14-17-25(23)28-27)19-21-29(22)20-15-11-9-7-5-3-2-4-6-8-10-12-18-26(30)31;/h13-14,16-17,19,21H,2-12,15,18,20H2,1H3,(H,30,31);1H