6-bromanyl-1-methoxy-9-methyl-pyrido[2,3-b]indol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 6-bromanyl-1-methoxy-9-methyl-pyrido[2,3-b]indol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 6-bromo-1-methoxy-9-methyl-pyrido[2,3-b]indol-1-ium; trifluoromethanesulfonate CAS Name: 6-bromo-1-methoxy-9-methylpyrido[2,3-b]indol-1-ium; trifluoromethanesulfonate IUPAC Name: 6-bromo-1-methoxy-9-methylpyrido[2,3-b]indol-1-ium; trifluoromethanesulfonate Traditional Name: 6-bromo-1-methoxy-9-methyl-pyrid[2,3-b]indol-1-ium triflate Formula: C14H12BrF3N2O4S MolecularWeight: 441.22029

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C3=C1[N+](=CC=C3)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)C3=C1[N+](=CC=C3)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H12BrN2O.CHF3O3S/c1-15-12-6-5-9(14)8-11(12)10-4-3-7-16(17-2)13(10)15;2-1(3,4)8(5,6)7/h3-8H,1-2H3;(H,5,6,7)/q+1;/p-1