(2R)-1-[3-(dimethylazaniumyl)propyl]-3-ethanoyl-2-(4-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-3-ethanoyl-2-(4-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-[3-(dimethylammonio)propyl]-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-[3-(dimethylammonio)propyl]-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-[3-(dimethylazaniumyl)propyl]-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-[3-(dimethylammonio)propyl]-2-keto-5-(4-methoxyphenyl)-3-pyrrolin-3-olate Formula: C18H24N2O4 MolecularWeight: 332.39416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-12(21)15-16(13-6-8-14(24-4)9-7-13)20(18(23)17(15)22)11-5-10-19(2)3/h6-9,16,22H,5,10-11H2,1-4H3/t16-/m1/s1