2-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=CO3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@H]2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=CO3)OC

InChI

InChI=1S/C22H26N2O6/c1-5-29-15-9-8-14(13-17(15)28-4)19-18(20(25)16-7-6-12-30-16)21(26)22(27)24(19)11-10-23(2)3/h6-9,12-13,19,26H,5,10-11H2,1-4H3/p+1/t19-/m1/s1