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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=C(C=C2)C(=S)N)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=C(C=C2)C(=S)N)F

InChI

InChI=1S/C14H19FN2S/c1-10-3-2-6-17(8-10)9-12-5-4-11(14(16)18)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,16,18)/p+1/t10-/m0/s1