2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyridin-1-ium-4-carbothioamide

Systemtic Name: 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyridin-1-ium-4-carbothioamide Openeye Name: 2-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]pyridin-1-ium-4-carbothioamide CAS Name: 2-[(2S)-2-(2-hydroxyethyl)-1-piperidinyl]-4-pyridin-1-iumcarbothioamide IUPAC Name: 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyridin-1-ium-4-carbothioamide Traditional Name: 2-[(2S)-2-(2-hydroxyethyl)piperidino]pyridin-1-ium-4-carbothioamide Formula: C13H20N3OS+ MolecularWeight: 266.3824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCO)C2=[NH+]C=CC(=C2)C(=S)N

Isomeric SMILES

C1CCN([C@@H](C1)CCO)C2=[NH+]C=CC(=C2)C(=S)N

InChI

InChI=1S/C13H19N3OS/c14-13(18)10-4-6-15-12(9-10)16-7-2-1-3-11(16)5-8-17/h4,6,9,11,17H,1-3,5,7-8H2,(H2,14,18)/p+1/t11-/m0/s1