4-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-2-one; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-2-one; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 7-hydroxy-4-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 7-hydroxy-4-methyl-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-2-one; 2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: 7-hydroxy-4-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: 7-hydroxy-4-methyl-8-(morpholin-4-ium-4-ylmethyl)coumarin; 2,3,4-trihydroxy-4-keto-butyrate Formula: C19H23NO10 MolecularWeight: 425.38662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCOCC3)O.C(C(C(=O)[O-])O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCOCC3)O.C(C(C(=O)[O-])O)(C(=O)O)O

InChI

InChI=1S/C15H17NO4.C4H6O6/c1-10-8-14(18)20-15-11(10)2-3-13(17)12(15)9-16-4-6-19-7-5-16;5-1(3(7)8)2(6)4(9)10/h2-3,8,17H,4-7,9H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)