(2R)-1-[2-(dimethylazaniumyl)ethyl]-3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxy-phenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-[2-(dimethylazaniumyl)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-[2-(dimethylammonio)ethyl]-5-(4-hydroxy-3-methoxy-phenyl)-2-keto-3-pyrrolin-3-olate Formula: C17H22N2O5 MolecularWeight: 334.36698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)CC[NH+](C)C)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC(=C(C=C2)O)OC)CC[NH+](C)C)[O-]

InChI

InChI=1S/C17H22N2O5/c1-10(20)14-15(11-5-6-12(21)13(9-11)24-4)19(8-7-18(2)3)17(23)16(14)22/h5-6,9,15,21-22H,7-8H2,1-4H3/t15-/m1/s1