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

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-phenethyl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2CCC3=CC=CC=C3)C[NH+]4CCC(CC4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2CCC3=CC=CC=C3)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C23H28N4O2S/c1-29-21-9-7-19(8-10-21)22-24-27(17-25-14-12-20(28)13-15-25)23(30)26(22)16-11-18-5-3-2-4-6-18/h2-10,20,28H,11-17H2,1H3/p+1