4-ethyl-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-2-19-15(13-6-4-3-5-7-13)17-20(16(19)22)12-18-10-8-14(21)9-11-18/h3-7,14,21H,2,8-12H2,1H3/p+1