2-[2-[(2,6-dimorpholin-4-ylpyridin-1-ium-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(2,6-dimorpholin-4-ylpyridin-1-ium-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[(2,6-dimorpholinopyridin-1-ium-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[2,6-bis(4-morpholinyl)-3-pyridin-1-iumyl]amino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[(2,6-dimorpholin-4-ylpyridin-1-ium-3-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(2,6-dimorpholinopyridin-1-ium-3-yl)amino]-2-keto-ethyl]thio]acetate Formula: C17H24N4O5S MolecularWeight: 396.46126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C(=C(C=C2)NC(=O)CSCC(=O)[O-])N3CCOCC3

Isomeric SMILES

C1COCCN1C2=[NH+]C(=C(C=C2)NC(=O)CSCC(=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H24N4O5S/c22-15(11-27-12-16(23)24)18-13-1-2-14(20-3-7-25-8-4-20)19-17(13)21-5-9-26-10-6-21/h1-2H,3-12H2,(H,18,22)(H,23,24)