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

Systemtic Name: 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C22H22NO5+ MolecularWeight: 380.41378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H21NO5/c24-16-4-5-17-15(11-22(25)28-20(17)12-16)13-23-7-1-2-18(23)14-3-6-19-21(10-14)27-9-8-26-19/h3-6,10-12,18,24H,1-2,7-9,13H2/p+1/t18-/m1/s1