3-(3,4-dimethoxyphenyl)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)O)OC

InChI

InChI=1S/C22H23NO5/c1-26-19-8-5-14(11-20(19)27-2)17-13-28-22-15(21(17)25)6-7-18(24)16(22)12-23-9-3-4-10-23/h5-8,11,13,24H,3-4,9-10,12H2,1-2H3/p+1