1-[[4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-5-methyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]thio]acetone Formula: C13H23N4OS+ MolecularWeight: 283.41292

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C(=NN=C2SCC(=O)C)C

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN2C(=NN=C2SCC(=O)C)C

InChI

InChI=1S/C13H22N4OS/c1-4-16-7-5-6-12(16)8-17-11(3)14-15-13(17)19-9-10(2)18/h12H,4-9H2,1-3H3/p+1/t12-/m1/s1