3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-4-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromone Formula: C22H22NO6+ MolecularWeight: 396.41318

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C22H21NO6/c24-18-3-2-15-21(25)17(14-1-4-19-20(11-14)28-10-9-27-19)13-29-22(15)16(18)12-23-5-7-26-8-6-23/h1-4,11,13,24H,5-10,12H2/p+1