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2-[1-[3-(dimethylazaniumyl)propyl]imidazol-2-yl]sulfanylethanoate

2-[1-[3-(dimethylazaniumyl)propyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name:2-[1-[3-(dimethylazaniumyl)propyl]imidazol-2-yl]sulfanylethanoate
Openeye Name:2-[1-[3-(dimethylammonio)propyl]imidazol-2-yl]sulfanylacetate
CAS Name:2-[[1-[3-(dimethylammonio)propyl]-2-imidazolyl]thio]acetate
IUPAC Name:2-[1-[3-(dimethylazaniumyl)propyl]imidazol-2-yl]sulfanylacetate
Traditional Name:2-[[1-[3-(dimethylammonio)propyl]imidazol-2-yl]thio]acetate
Formula: C10H17N3O2S
MolecularWeight: 243.32588
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C=CN=C1SCC(=O)[O-]


Isomeric SMILES

C[NH+](C)CCCN1C=CN=C1SCC(=O)[O-]


InChI

InChI=1S/C10H17N3O2S/c1-12(2)5-3-6-13-7-4-11-10(13)16-8-9(14)15/h4,7H,3,5-6,8H2,1-2H3,(H,14,15)


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