2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Formula: C18H26N5OS+ MolecularWeight: 360.49694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C=NN=C1SCC(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H25N5OS/c1-22-14-19-21-18(22)25-13-17(24)20-16-8-5-10-23(12-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,20,24)/p+1/t16-/m0/s1