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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCOC(C2)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCO[C@@H](C2)C)C3=CC=CC=C3

InChI

InChI=1S/C16H22N4OS/c1-3-19-15(14-7-5-4-6-8-14)17-20(16(19)22)12-18-9-10-21-13(2)11-18/h4-8,13H,3,9-12H2,1-2H3/p+1/t13-/m1/s1