5-bromanyl-7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium bromide

Systemtic Name: 5-bromanyl-7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium bromide Openeye Name: 5-bromo-7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium bromide CAS Name: 5-bromo-7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium bromide IUPAC Name: 5-bromo-7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium bromide Traditional Name: 5-bromo-7-methoxy-1-methyl-9H-$b-carbolin-2-ium bromide Formula: C13H12Br2N2O MolecularWeight: 372.05518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CC2=C1NC3=CC(=CC(=C23)Br)OC.[Br-]

Isomeric SMILES

CC1=[NH+]C=CC2=C1NC3=CC(=CC(=C23)Br)OC.[Br-]

InChI

InChI=1S/C13H11BrN2O.BrH/c1-7-13-9(3-4-15-7)12-10(14)5-8(17-2)6-11(12)16-13;/h3-6,16H,1-2H3;1H