[2-(2-fluoranylphenoxy)pyridin-3-yl]methyl-(thian-4-yl)azanium

Systemtic Name: [2-(2-fluoranylphenoxy)pyridin-3-yl]methyl-(thian-4-yl)azanium Openeye Name: [2-(2-fluorophenoxy)-3-pyridyl]methyl-tetrahydrothiopyran-4-yl-ammonium CAS Name: [2-(2-fluorophenoxy)-3-pyridinyl]methyl-(4-thianyl)ammonium IUPAC Name: [2-(2-fluorophenoxy)pyridin-3-yl]methyl-(thian-4-yl)azanium Traditional Name: [2-(2-fluorophenoxy)-3-pyridyl]methyl-tetrahydrothiopyran-4-yl-ammonium Formula: C17H20FN2OS+ MolecularWeight: 319.416903

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1[NH2+]CC2=C(N=CC=C2)OC3=CC=CC=C3F

Isomeric SMILES

C1CSCCC1[NH2+]CC2=C(N=CC=C2)OC3=CC=CC=C3F

InChI

InChI=1S/C17H19FN2OS/c18-15-5-1-2-6-16(15)21-17-13(4-3-9-19-17)12-20-14-7-10-22-11-8-14/h1-6,9,14,20H,7-8,10-12H2/p+1