4-methyl-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-methyl-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 4-methyl-3-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-methyl-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylthio]-4-methyl-1H-1,2,4-triazol-5-one Formula: C12H23N4O2S+ MolecularWeight: 287.40162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CSC2=NNC(=O)N2C

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CSC2=NNC(=O)N2C

InChI

InChI=1S/C12H22N4O2S/c1-9(2)6-16-4-5-18-10(7-16)8-19-12-14-13-11(17)15(12)3/h9-10H,4-8H2,1-3H3,(H,13,17)/p+1/t10-/m1/s1