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

Systemtic Name: 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]methyl]-6-ethyl-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]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C24H26NO5+ MolecularWeight: 408.46694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC[C@@H]3C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C24H25NO5/c1-2-15-10-18-17(12-24(27)30-22(18)13-20(15)26)14-25-7-3-4-19(25)16-5-6-21-23(11-16)29-9-8-28-21/h5-6,10-13,19,26H,2-4,7-9,14H2,1H3/p+1/t19-/m1/s1