2-fluoranyl-1-methyl-pyridin-1-ium phosphate

Systemtic Name: 2-fluoranyl-1-methyl-pyridin-1-ium phosphate Openeye Name: 2-fluoro-1-methyl-pyridin-1-ium phosphate CAS Name: 2-fluoro-1-methylpyridin-1-ium phosphate IUPAC Name: 2-fluoro-1-methylpyridin-1-ium phosphate Traditional Name: 2-fluoro-1-methyl-pyridin-1-ium phosphate Formula: C18H21F3N3O4P MolecularWeight: 431.346011

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1F.C[N+]1=CC=CC=C1F.C[N+]1=CC=CC=C1F.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1F.C[N+]1=CC=CC=C1F.C[N+]1=CC=CC=C1F.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C6H7FN.H3O4P/c3*1-8-5-3-2-4-6(8)7;1-5(2,3)4/h3*2-5H,1H3;(H3,1,2,3,4)/q3*+1;/p-3