2-[2-[(6-methoxy-2-morpholin-4-yl-pyridin-1-ium-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(6-methoxy-2-morpholin-4-yl-pyridin-1-ium-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[(6-methoxy-2-morpholino-pyridin-1-ium-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[6-methoxy-2-(4-morpholinyl)-3-pyridin-1-iumyl]amino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[(6-methoxy-2-morpholin-4-ylpyridin-1-ium-3-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(6-methoxy-2-morpholino-pyridin-1-ium-3-yl)amino]ethyl]thio]acetate Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=[NH+]C(=C(C=C1)NC(=O)CSCC(=O)[O-])N2CCOCC2

Isomeric SMILES

COC1=[NH+]C(=C(C=C1)NC(=O)CSCC(=O)[O-])N2CCOCC2

InChI

InChI=1S/C14H19N3O5S/c1-21-12-3-2-10(15-11(18)8-23-9-13(19)20)14(16-12)17-4-6-22-7-5-17/h2-3H,4-9H2,1H3,(H,15,18)(H,19,20)