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

Systemtic Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-isopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H24N4O2S MolecularWeight: 312.43096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O2S/c1-4-17-7-5-6-11(17)8-18-13(10(2)3)15-16-14(18)21-9-12(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)/t11-/m0/s1