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

Systemtic Name: 3-fluoranyl-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzenecarbothioamide Openeye Name: 3-fluoro-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzenecarbothioamide CAS Name: 3-fluoro-4-[[(2S)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]benzenecarbothioamide IUPAC Name: 3-fluoro-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzenecarbothioamide Traditional Name: 3-fluoro-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]thiobenzamide Formula: C15H22FN2OS+ MolecularWeight: 297.411383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CC2=C(C=C(C=C2)C(=S)N)F

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCO)CC2=C(C=C(C=C2)C(=S)N)F

InChI

InChI=1S/C15H21FN2OS/c16-14-9-11(15(17)20)4-5-12(14)10-18-7-2-1-3-13(18)6-8-19/h4-5,9,13,19H,1-3,6-8,10H2,(H2,17,20)/p+1/t13-/m0/s1