3-[(2R)-2-(3,4-dimethoxyphenyl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-3-[2-furanyl(oxo)methyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-3-(2-furoyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C22H27N2O6+ MolecularWeight: 415.45958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N2O6/c1-23(2)10-6-11-24-19(14-8-9-15(28-3)17(13-14)29-4)18(21(26)22(24)27)20(25)16-7-5-12-30-16/h5,7-9,12-13,19,26H,6,10-11H2,1-4H3/p+1/t19-/m1/s1