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

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)C[NH+]3CCC(CC3)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C18H24N4O2S/c1-3-10-21-17(14-4-6-16(24-2)7-5-14)19-22(18(21)25)13-20-11-8-15(23)9-12-20/h3-7,15,23H,1,8-13H2,2H3/p+1