5-(4-tert-butylphenyl)-4-methyl-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCCC(C3)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C19H28N4OS/c1-19(2,3)15-9-7-14(8-10-15)17-20-23(18(25)21(17)4)13-22-11-5-6-16(24)12-22/h7-10,16,24H,5-6,11-13H2,1-4H3/p+1/t16-/m1/s1