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

Systemtic Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C11H18N4O2S MolecularWeight: 270.35122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O2S/c1-2-14-5-3-4-9(14)6-15-8-12-13-11(15)18-7-10(16)17/h8-9H,2-7H2,1H3,(H,16,17)/t9-/m0/s1