2-[1-[2-(dimethylazaniumyl)ethyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[2-(dimethylazaniumyl)ethyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[2-(dimethylammonio)ethyl]imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[2-(dimethylammonio)ethyl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-[2-(dimethylazaniumyl)ethyl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[2-(dimethylammonio)ethyl]imidazol-2-yl]thio]acetate Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C=CN=C1SCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCN1C=CN=C1SCC(=O)[O-]

InChI

InChI=1S/C9H15N3O2S/c1-11(2)5-6-12-4-3-10-9(12)15-7-8(13)14/h3-4H,5-7H2,1-2H3,(H,13,14)