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

Systemtic Name: methyl 4-bromanyl-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate methanoate Openeye Name: methyl 4-bromo-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate formate CAS Name: 4-bromo-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoic acid methyl ester formate IUPAC Name: methyl 4-bromo-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate formate Traditional Name: 2-(9H-$b-carbolin-2-ium-2-yl)-4-bromo-benzoic acid methyl ester formate Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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.C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O2.CH2O2/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;2-1-3/h2-11H,1H3;1H,(H,2,3)