2-[2-[(1-methylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(1-methylpiperidin-1-ium-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[(1-methylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(1-methyl-4-piperidin-1-iumyl)amino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[(1-methylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(1-methylpiperidin-1-ium-4-yl)amino]ethyl]thio]acetate Formula: C10H18N2O3S MolecularWeight: 246.32652

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)CSCC(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)CSCC(=O)[O-]

InChI

InChI=1S/C10H18N2O3S/c1-12-4-2-8(3-5-12)11-9(13)6-16-7-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)