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

Systemtic Name: 2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]acetamide Traditional Name: N-(4-methylbenzyl)-2-[4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]acetamide Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C3=NN=C(N3C)SC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C3=NN=C(N3C)SC

InChI

InChI=1S/C19H27N5OS/c1-14-4-6-15(7-5-14)12-20-17(25)13-24-10-8-16(9-11-24)18-21-22-19(26-3)23(18)2/h4-7,16H,8-13H2,1-3H3,(H,20,25)/p+1