3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-]

InChI

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