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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-methyl-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-2-keto-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)[O-])C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)[O-])C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H25NO5/c1-14-16-7-8-18(25)17(13-24-10-4-5-11-24)22(16)29-23(26)21(14)15-6-9-19(27-2)20(12-15)28-3/h6-9,12,25H,4-5,10-11,13H2,1-3H3