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

Systemtic Name: 2-[(4-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-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-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-[(4-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+]2CCC(CC2)O)C3=CN=CC=C3

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)O)C3=CN=CC=C3

InChI

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