3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C24H26NO5+ MolecularWeight: 408.46694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO5/c1-15-4-2-3-9-25(15)13-18-20(26)7-6-17-23(27)19(14-30-24(17)18)16-5-8-21-22(12-16)29-11-10-28-21/h5-8,12,14-15,26H,2-4,9-11,13H2,1H3/p+1/t15-/m1/s1