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

Systemtic Name: 5-(4-fluorophenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-fluorophenyl)-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C17H22FN4OS+ MolecularWeight: 349.446183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN4OS/c1-2-9-21-16(13-3-5-14(18)6-4-13)19-22(17(21)24)12-20-10-7-15(23)8-11-20/h2-6,15,23H,1,7-12H2/p+1