N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C17H22N5O2S+ MolecularWeight: 360.45388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)CSC3=NC=CC=N3)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)CSC3=NC=CC=N3)O

InChI

InChI=1S/C17H21N5O2S/c23-14-5-2-9-22(11-14)16-13(4-1-6-18-16)10-21-15(24)12-25-17-19-7-3-8-20-17/h1,3-4,6-8,14,23H,2,5,9-12H2,(H,21,24)/p+1/t14-/m0/s1