2-[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-4-yl]sulfanylethanoate

Systemtic Name: 2-[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-4-yl]sulfanylethanoate Openeye Name: 2-[1-(2-amino-2-oxo-ethyl)pyridin-1-ium-4-yl]sulfanylacetate CAS Name: 2-[[1-(2-amino-2-oxoethyl)-4-pyridin-1-iumyl]thio]acetate IUPAC Name: 2-[1-(2-amino-2-oxoethyl)pyridin-1-ium-4-yl]sulfanylacetate Traditional Name: 2-[[1-(2-amino-2-keto-ethyl)pyridin-1-ium-4-yl]thio]acetate Formula: C9H10N2O3S MolecularWeight: 226.2523

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1SCC(=O)[O-])CC(=O)N

Isomeric SMILES

C1=C[N+](=CC=C1SCC(=O)[O-])CC(=O)N

InChI

InChI=1S/C9H10N2O3S/c10-8(12)5-11-3-1-7(2-4-11)15-6-9(13)14/h1-4H,5-6H2,(H2-,10,12,13,14)