methyl 4-bromanyl-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate

Systemtic Name: methyl 4-bromanyl-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate Openeye Name: methyl 4-bromo-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate CAS Name: 4-bromo-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate Traditional Name: 2-(9H-$b-carbolin-2-ium-2-yl)-4-bromo-benzoic acid methyl ester Formula: C19H14BrN2O2+ MolecularWeight: 382.23066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Br)[N+]2=CC3=C(C=C2)C4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Br)[N+]2=CC3=C(C=C2)C4=CC=CC=C4N3

InChI

InChI=1S/C19H13BrN2O2/c1-24-19(23)15-7-6-12(20)10-18(15)22-9-8-14-13-4-2-3-5-16(13)21-17(14)11-22/h2-11H,1H3/p+1