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

Systemtic Name: 4-(2-methylphenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCC(CC3)O

Isomeric SMILES

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C15H20N4OS/c1-12-4-2-3-5-14(12)18-10-16-19(15(18)21)11-17-8-6-13(20)7-9-17/h2-5,10,13,20H,6-9,11H2,1H3/p+1