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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C(=C(C=C3)O)C[NH+]4CCCC4)OC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C(=C(C=C3)O)C[NH+]4CCCC4)OC2=O)OC

InChI

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