2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-16(2)19-7-3-4-8-20(19)27-21(17-6-5-11-23-14-17)24-26(22(27)29)15-25-12-9-18(28)10-13-25/h3-8,11,14,16,18,28H,9-10,12-13,15H2,1-2H3/p+1