3-fluoranyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide

Systemtic Name: 3-fluoranyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide Openeye Name: 3-fluoro-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide CAS Name: 3-fluoro-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]benzenecarbothioamide IUPAC Name: 3-fluoro-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide Traditional Name: 3-fluoro-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]thiobenzamide Formula: C14H20FN2S+ MolecularWeight: 267.385403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=C(C=C2)C(=S)N)F

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=C(C=C2)C(=S)N)F

InChI

InChI=1S/C14H19FN2S/c1-10-4-2-3-7-17(10)9-12-6-5-11(14(16)18)8-13(12)15/h5-6,8,10H,2-4,7,9H2,1H3,(H2,16,18)/p+1/t10-/m0/s1