N-(4-ethanoylphenyl)-2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]acetamide Formula: C19H26N5O2S+ MolecularWeight: 388.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NN=C(N3C)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NN=C(N3C)SC

InChI

InChI=1S/C19H25N5O2S/c1-13(25)14-4-6-16(7-5-14)20-17(26)12-24-10-8-15(9-11-24)18-21-22-19(27-3)23(18)2/h4-7,15H,8-12H2,1-3H3,(H,20,26)/p+1