3-[4-ethyl-1-[[(2R)-2-methylmorpholin-4-ium-4-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-1-[[(2R)-2-methylmorpholin-4-ium-4-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-1-[[(2R)-2-methylmorpholin-4-ium-4-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-1-[[(2R)-2-methyl-4-morpholin-4-iumyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-1-[[(2R)-2-methylmorpholin-4-ium-4-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-1-[[(2R)-2-methylmorpholin-4-ium-4-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C13H24N5O2S+ MolecularWeight: 314.42696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCOC(C2)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCO[C@@H](C2)C)CCC(=O)N

InChI

InChI=1S/C13H23N5O2S/c1-3-17-12(5-4-11(14)19)15-18(13(17)21)9-16-6-7-20-10(2)8-16/h10H,3-9H2,1-2H3,(H2,14,19)/p+1/t10-/m1/s1