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

Systemtic Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-3-ethanoyl-2-(3-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-[2-(dimethylammonio)ethyl]-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-[2-(dimethylammonio)ethyl]-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-[2-(dimethylazaniumyl)ethyl]-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-[2-(dimethylammonio)ethyl]-2-keto-5-(3-methoxyphenyl)-3-pyrrolin-3-olate Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-11(20)14-15(12-6-5-7-13(10-12)23-4)19(9-8-18(2)3)17(22)16(14)21/h5-7,10,15,21H,8-9H2,1-4H3/t15-/m1/s1