2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCCC(C2)O)C3=CN=CC=C3

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)O)C3=CN=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-2-8-20-15(13-5-3-7-17-10-13)18-21(16(20)23)12-19-9-4-6-14(22)11-19/h2-3,5,7,10,14,22H,1,4,6,8-9,11-12H2/p+1/t14-/m1/s1