3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoro-benzenecarbothioamide CAS Name: 3-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-4-fluorobenzenecarbothioamide IUPAC Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluorobenzenecarbothioamide Traditional Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoro-thiobenzamide Formula: C15H22FN2S+ MolecularWeight: 281.411983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(C=CC(=C2)C(=S)N)F)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21FN2S/c1-10-5-11(2)8-18(7-10)9-13-6-12(15(17)19)3-4-14(13)16/h3-4,6,10-11H,5,7-9H2,1-2H3,(H2,17,19)/p+1/t10-,11-/m0/s1