methyl 4-bromanyl-2-(7-bromanyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate chloride

Systemtic Name: methyl 4-bromanyl-2-(7-bromanyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate chloride Openeye Name: methyl 4-bromo-2-(7-bromo-9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate chloride CAS Name: 4-bromo-2-(7-bromo-9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoic acid methyl ester chloride IUPAC Name: methyl 4-bromo-2-(7-bromo-9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoate chloride Traditional Name: 4-bromo-2-(7-bromo-9H-$b-carbolin-2-ium-2-yl)benzoic acid methyl ester chloride Formula: C19H13Br2ClN2O2 MolecularWeight: 496.57972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Br)[N+]2=CC3=C(C=C2)C4=C(N3)C=C(C=C4)Br.[Cl-]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Br)[N+]2=CC3=C(C=C2)C4=C(N3)C=C(C=C4)Br.[Cl-]

InChI

InChI=1S/C19H12Br2N2O2.ClH/c1-25-19(24)15-5-3-12(21)9-18(15)23-7-6-14-13-4-2-11(20)8-16(13)22-17(14)10-23;/h2-10H,1H3;1H