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

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-(2-pyridylthio)acetamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H27N3OS/c1-23(21(25)17-26-20-11-5-6-13-22-20)19-10-7-14-24(16-19)15-12-18-8-3-2-4-9-18/h2-6,8-9,11,13,19H,7,10,12,14-17H2,1H3/p+1/t19-/m0/s1