N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2-pyrimidylthio)acetamide Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H24N4OS/c24-18(15-25-19-20-10-5-11-21-19)22-17-8-4-12-23(14-17)13-9-16-6-2-1-3-7-16/h1-3,5-7,10-11,17H,4,8-9,12-15H2,(H,22,24)/p+1/t17-/m0/s1