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

Systemtic Name: 2-[(2R)-2-(3-ethoxyphenyl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-2-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-2-(3-ethoxyphenyl)-3-[2-furanyl(oxo)methyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-2-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5R)-4-(2-furoyl)-3-hydroxy-2-keto-5-m-phenetyl-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C21H25N2O5+ MolecularWeight: 385.4336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-4-27-15-8-5-7-14(13-15)18-17(19(24)16-9-6-12-28-16)20(25)21(26)23(18)11-10-22(2)3/h5-9,12-13,18,25H,4,10-11H2,1-3H3/p+1/t18-/m1/s1