2-[1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]imidazol-2-yl]thio]acetate Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O2S/c1-2-14-6-3-4-10(14)8-15-7-5-13-12(15)18-9-11(16)17/h5,7,10H,2-4,6,8-9H2,1H3,(H,16,17)/t10-/m0/s1