(2S)-3-ethanoyl-1-[3-(2-hydroxyethylazaniumyl)propyl]-2-(4-methylphenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-1-[3-(2-hydroxyethylazaniumyl)propyl]-2-(4-methylphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-[3-(2-hydroxyethylammonio)propyl]-5-oxo-2-(p-tolyl)-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-[3-(2-hydroxyethylammonio)propyl]-2-(4-methylphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-[3-(2-hydroxyethylazaniumyl)propyl]-2-(4-methylphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-[3-(2-hydroxyethylammonio)propyl]-2-keto-5-(p-tolyl)-3-pyrrolin-3-olate Formula: C18H24N2O4 MolecularWeight: 332.39416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH2+]CCO)[O-])C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH2+]CCO)[O-])C(=O)C

InChI

InChI=1S/C18H24N2O4/c1-12-4-6-14(7-5-12)16-15(13(2)22)17(23)18(24)20(16)10-3-8-19-9-11-21/h4-7,16,19,21,23H,3,8-11H2,1-2H3/t16-/m0/s1