5-bromanyl-2-methyl-9H-pyrido[3,4-b]indol-2-ium-6-ol; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 5-bromanyl-2-methyl-9H-pyrido[3,4-b]indol-2-ium-6-ol; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 5-bromo-2-methyl-9H-pyrido[3,4-b]indol-2-ium-6-ol; 2,2,2-trifluoroacetate CAS Name: 5-bromo-2-methyl-9H-pyrido[3,4-b]indol-2-ium-6-ol; 2,2,2-trifluoroacetate IUPAC Name: 5-bromo-2-methyl-9H-pyrido[3,4-b]indol-2-ium-6-ol; 2,2,2-trifluoroacetate Traditional Name: 5-bromo-2-methyl-9H-$b-carbolin-2-ium-6-ol; 2,2,2-trifluoroacetate Formula: C14H10BrF3N2O3 MolecularWeight: 391.14001

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C3=C(N2)C=CC(=C3Br)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C3=C(N2)C=CC(=C3Br)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C12H9BrN2O.C2HF3O2/c1-15-5-4-7-9(6-15)14-8-2-3-10(16)12(13)11(7)8;3-2(4,5)1(6)7/h2-6,16H,1H3;(H,6,7)