dihydrogen phosphate; 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methyl-pyridin-1-ium

Systemtic Name: dihydrogen phosphate; 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methyl-pyridin-1-ium Openeye Name: dihydrogen phosphate; 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methyl-pyridin-1-ium CAS Name: dihydrogen phosphate; 5-[2-[(4-fluorophenyl)thio]ethyl]-2-methylpyridin-1-ium IUPAC Name: dihydrogen phosphate; 5-[2-(4-fluorophenyl)sulfanylethyl]-2-methylpyridin-1-ium Traditional Name: dihydrogen phosphate; 5-[2-[(4-fluorophenyl)thio]ethyl]-2-methyl-pyridin-1-ium Formula: C14H17FNO4PS MolecularWeight: 345.326244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C=C1)CCSC2=CC=C(C=C2)F.OP(=O)(O)[O-]

Isomeric SMILES

CC1=[NH+]C=C(C=C1)CCSC2=CC=C(C=C2)F.OP(=O)(O)[O-]

InChI

InChI=1S/C14H14FNS.H3O4P/c1-11-2-3-12(10-16-11)8-9-17-14-6-4-13(15)5-7-14;1-5(2,3)4/h2-7,10H,8-9H2,1H3;(H3,1,2,3,4)