3-(2-ethoxyphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(2-ethoxyphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O

Isomeric SMILES

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O

InChI

InChI=1S/C22H23NO5/c1-2-26-18-7-3-4-8-19(18)28-20-14-27-22-15(21(20)25)9-10-17(24)16(22)13-23-11-5-6-12-23/h3-4,7-10,14,24H,2,5-6,11-13H2,1H3/p+1