6-[2-[4-(dimethylazaniumyl)phenyl]-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoate

Systemtic Name: 6-[2-[4-(dimethylazaniumyl)phenyl]-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoate Openeye Name: 6-[3-acetyl-2-[4-(dimethylammonio)phenyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoate CAS Name: 6-[3-acetyl-2-[4-(dimethylammonio)phenyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoate IUPAC Name: 6-[3-acetyl-2-[4-(dimethylazaniumyl)phenyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoate Traditional Name: 6-[3-acetyl-2-[4-(dimethylammonio)phenyl]-4-hydroxy-5-keto-3-pyrrolin-1-yl]hexanoate Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5/c1-13(23)17-18(14-8-10-15(11-9-14)21(2)3)22(20(27)19(17)26)12-6-4-5-7-16(24)25/h8-11,18,26H,4-7,12H2,1-3H3,(H,24,25)