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

Systemtic Name: 5-(3-methoxyphenyl)-4-methyl-2-[[(2R)-2-methylmorpholin-4-ium-4-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(3-methoxyphenyl)-4-methyl-2-[[(2R)-2-methylmorpholin-4-ium-4-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(3-methoxyphenyl)-4-methyl-2-[[(2R)-2-methyl-4-morpholin-4-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(3-methoxyphenyl)-4-methyl-2-[[(2R)-2-methylmorpholin-4-ium-4-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(3-methoxyphenyl)-4-methyl-2-[[(2R)-2-methylmorpholin-4-ium-4-yl]methyl]-1,2,4-triazole-3-thione Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCO1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)OC)C

Isomeric SMILES

C[C@@H]1C[NH+](CCO1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C16H22N4O2S/c1-12-10-19(7-8-22-12)11-20-16(23)18(2)15(17-20)13-5-4-6-14(9-13)21-3/h4-6,9,12H,7-8,10-11H2,1-3H3/p+1/t12-/m1/s1