2-[[4-[3-(dimethylazaniumyl)propyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-[3-(dimethylazaniumyl)propyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[3-(dimethylammonio)propyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[3-(dimethylammonio)propyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[3-(dimethylazaniumyl)propyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[3-(dimethylammonio)propyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H22N4O2S MolecularWeight: 286.39368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CCC[NH+](C)C)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1CCC[NH+](C)C)SCC(=O)[O-]

InChI

InChI=1S/C12H22N4O2S/c1-4-6-10-13-14-12(19-9-11(17)18)16(10)8-5-7-15(2)3/h4-9H2,1-3H3,(H,17,18)