4-bromanyl-3-ethyl-1-methyl-5-(3-methylphenyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-bromanyl-3-ethyl-1-methyl-5-(3-methylphenyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 4-bromo-3-ethyl-1-methyl-5-(m-tolyl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 4-bromo-3-ethyl-1-methyl-5-(3-methylphenyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 4-bromo-3-ethyl-1-methyl-5-(3-methylphenyl)pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 4-bromo-3-ethyl-1-methyl-5-(m-tolyl)pyridin-1-ium triflate Formula: C16H17BrF3NO3S MolecularWeight: 440.27529

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C[N+](=C1)C)C2=CC(=CC=C2)C)Br.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=C(C(=C[N+](=C1)C)C2=CC(=CC=C2)C)Br.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H17BrN.CHF3O3S/c1-4-12-9-17(3)10-14(15(12)16)13-7-5-6-11(2)8-13;2-1(3,4)8(5,6)7/h5-10H,4H2,1-3H3;(H,5,6,7)/q+1;/p-1