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

Systemtic Name: 2-[(2R)-2-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-2-(4-ethoxyphenyl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-2-(4-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5R)-3-hydroxy-2-keto-4-(5-methyl-2-furoyl)-5-p-phenetyl-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=C(O3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=C(O3)C

InChI

InChI=1S/C22H26N2O5/c1-5-28-16-9-7-15(8-10-16)19-18(20(25)17-11-6-14(2)29-17)21(26)22(27)24(19)13-12-23(3)4/h6-11,19,26H,5,12-13H2,1-4H3/p+1/t19-/m1/s1