3-(3,4-dimethoxyphenyl)-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-2-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-2-keto-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H23NO5 MolecularWeight: 381.42172

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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