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

Systemtic Name: 2-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzenecarbothioamide Openeye Name: 2-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzenecarbothioamide CAS Name: 2-[[(2S)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]benzenecarbothioamide IUPAC Name: 2-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzenecarbothioamide Traditional Name: 2-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]thiobenzamide Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CC2=CC=CC=C2C(=S)N

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCO)CC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C15H22N2OS/c16-15(19)14-7-2-1-5-12(14)11-17-9-4-3-6-13(17)8-10-18/h1-2,5,7,13,18H,3-4,6,8-11H2,(H2,16,19)/p+1/t13-/m0/s1