3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-(4-oxidanylidenechromen-7-yl)morpholin-4-ium-4-carboxylic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-(4-oxidanylidenechromen-7-yl)morpholin-4-ium-4-carboxylic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-(4-oxochromen-7-yl)morpholin-4-ium-4-carboxylic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-(4-oxo-1-benzopyran-7-yl)-4-morpholin-4-iumcarboxylic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-(4-oxochromen-7-yl)morpholin-4-ium-4-carboxylic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-(4-ketochromen-7-yl)-2-methyl-morpholin-4-ium-4-carboxylic acid Formula: C25H26NO7+ MolecularWeight: 452.47644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[N+](C(C(O1)C)C2=CC3=C(C=C2)OCCO3)(C4=CC5=C(C=C4)C(=O)C=CO5)C(=O)O

Isomeric SMILES

CCC1C[N+](C(C(O1)C)C2=CC3=C(C=C2)OCCO3)(C4=CC5=C(C=C4)C(=O)C=CO5)C(=O)O

InChI

InChI=1S/C25H25NO7/c1-3-18-14-26(25(28)29,17-5-6-19-20(27)8-9-30-22(19)13-17)24(15(2)33-18)16-4-7-21-23(12-16)32-11-10-31-21/h4-9,12-13,15,18,24H,3,10-11,14H2,1-2H3/p+1