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

Systemtic Name: 5-(4-chlorophenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-chlorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-chlorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C17H22ClN4OS+ MolecularWeight: 365.90078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4OS/c1-2-9-21-16(13-5-7-14(18)8-6-13)19-22(17(21)24)12-20-10-3-4-15(23)11-20/h2,5-8,15,23H,1,3-4,9-12H2/p+1/t15-/m1/s1