2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O2S/c1-3-15-6-4-5-10(15)7-16-9(2)13-14-12(16)19-8-11(17)18/h10H,3-8H2,1-2H3,(H,17,18)/t10-/m0/s1