4-(3-methylphenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-methylphenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(m-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(m-tolyl)-1,2,4-triazole-3-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-17-6-5-9-19(14-17)26-21(15-18-7-3-2-4-8-18)23-25(22(26)28)16-24-12-10-20(27)11-13-24/h2-9,14,20,27H,10-13,15-16H2,1H3/p+1