1,4-dithiepan-6-yl-[[2-(2-fluoranylphenoxy)pyridin-3-yl]methyl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[[2-(2-fluoranylphenoxy)pyridin-3-yl]methyl]azanium Openeye Name: 1,4-dithiepan-6-yl-[[2-(2-fluorophenoxy)-3-pyridyl]methyl]ammonium CAS Name: 1,4-dithiepan-6-yl-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[[2-(2-fluorophenoxy)pyridin-3-yl]methyl]azanium Traditional Name: 1,4-dithiepan-6-yl-[[2-(2-fluorophenoxy)-3-pyridyl]methyl]ammonium Formula: C17H20FN2OS2+ MolecularWeight: 351.481903

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(CS1)[NH2+]CC2=C(N=CC=C2)OC3=CC=CC=C3F

Isomeric SMILES

C1CSCC(CS1)[NH2+]CC2=C(N=CC=C2)OC3=CC=CC=C3F

InChI

InChI=1S/C17H19FN2OS2/c18-15-5-1-2-6-16(15)21-17-13(4-3-7-19-17)10-20-14-11-22-8-9-23-12-14/h1-7,14,20H,8-12H2/p+1