4-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C15H22N5S+ MolecularWeight: 304.43368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C

InChI

InChI=1S/C15H21N5S/c1-12-5-4-8-19(10-12)11-20-15(21)18(2)14(17-20)13-6-3-7-16-9-13/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3/p+1/t12-/m0/s1