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

Systemtic Name: N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-2-(2-pyrimidylthio)acetamide Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H21N5OS/c23-16(13-24-17-19-8-4-9-20-17)21-15-6-3-10-22(12-15)11-14-5-1-2-7-18-14/h1-2,4-5,7-9,15H,3,6,10-13H2,(H,21,23)/p+1/t15-/m0/s1