3-(3-ethoxyphenyl)-4-fluoranyl-1-methyl-pyridin-1-ium phosphate

Systemtic Name: 3-(3-ethoxyphenyl)-4-fluoranyl-1-methyl-pyridin-1-ium phosphate Openeye Name: 3-(3-ethoxyphenyl)-4-fluoro-1-methyl-pyridin-1-ium phosphate CAS Name: 3-(3-ethoxyphenyl)-4-fluoro-1-methylpyridin-1-ium phosphate IUPAC Name: 3-(3-ethoxyphenyl)-4-fluoro-1-methylpyridin-1-ium phosphate Traditional Name: 4-fluoro-1-methyl-3-m-phenetyl-pyridin-1-ium phosphate Formula: C14H15FNO5P-2 MolecularWeight: 327.244764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(C=C[N+](=C2)C)F.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(C=C[N+](=C2)C)F.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C14H15FNO.H3O4P/c1-3-17-12-6-4-5-11(9-12)13-10-16(2)8-7-14(13)15;1-5(2,3)4/h4-10H,3H2,1-2H3;(H3,1,2,3,4)/q+1;/p-3