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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C24H25NO5/c1-15-3-2-8-25(12-15)13-18-20(26)6-5-17-23(27)19(14-30-24(17)18)16-4-7-21-22(11-16)29-10-9-28-21/h4-7,11,14-15,26H,2-3,8-10,12-13H2,1H3/p+1/t15-/m1/s1