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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C23H24NO5+ MolecularWeight: 394.44036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C23H23NO5/c25-19-6-5-16-22(26)18(15-4-7-20-21(12-15)28-11-10-27-20)14-29-23(16)17(19)13-24-8-2-1-3-9-24/h4-7,12,14,25H,1-3,8-11,13H2/p+1