3-(2-methoxyphenoxy)-2-methyl-4-(4-oxidanylidenechromen-7-yl)morpholin-4-ium-4-carboxylic acid

Systemtic Name: 3-(2-methoxyphenoxy)-2-methyl-4-(4-oxidanylidenechromen-7-yl)morpholin-4-ium-4-carboxylic acid Openeye Name: 3-(2-methoxyphenoxy)-2-methyl-4-(4-oxochromen-7-yl)morpholin-4-ium-4-carboxylic acid CAS Name: 3-(2-methoxyphenoxy)-2-methyl-4-(4-oxo-1-benzopyran-7-yl)-4-morpholin-4-iumcarboxylic acid IUPAC Name: 3-(2-methoxyphenoxy)-2-methyl-4-(4-oxochromen-7-yl)morpholin-4-ium-4-carboxylic acid Traditional Name: 4-(4-ketochromen-7-yl)-3-(2-methoxyphenoxy)-2-methyl-morpholin-4-ium-4-carboxylic acid Formula: C22H22NO7+ MolecularWeight: 412.41258

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+](CCO1)(C2=CC3=C(C=C2)C(=O)C=CO3)C(=O)O)OC4=CC=CC=C4OC

Isomeric SMILES

CC1C([N+](CCO1)(C2=CC3=C(C=C2)C(=O)C=CO3)C(=O)O)OC4=CC=CC=C4OC

InChI

InChI=1S/C22H21NO7/c1-14-21(30-19-6-4-3-5-18(19)27-2)23(22(25)26,10-12-28-14)15-7-8-16-17(24)9-11-29-20(16)13-15/h3-9,11,13-14,21H,10,12H2,1-2H3/p+1