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

Systemtic Name: 3-(2-methoxyphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(2-methoxyphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-3-(2-methoxyphenoxy)-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(2-methoxyphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(2-methoxyphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O

Isomeric SMILES

COC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O

InChI

InChI=1S/C21H21NO5/c1-25-17-6-2-3-7-18(17)27-19-13-26-21-14(20(19)24)8-9-16(23)15(21)12-22-10-4-5-11-22/h2-3,6-9,13,23H,4-5,10-12H2,1H3/p+1