4-[3-ethanoyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]-2-methoxy-phenolate

Systemtic Name: 4-[3-ethanoyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]-2-methoxy-phenolate Openeye Name: 4-[3-acetyl-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]-2-methoxy-phenolate CAS Name: 4-[3-acetyl-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenolate IUPAC Name: 4-[3-acetyl-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenolate Traditional Name: 4-[3-acetyl-4-hydroxy-5-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-yl]-2-methoxy-phenolate Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)[O-])OC)CCC[NH+]3CCOCC3)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)[O-])OC)CCC[NH+]3CCOCC3)O

InChI

InChI=1S/C20H26N2O6/c1-13(23)17-18(14-4-5-15(24)16(12-14)27-2)22(20(26)19(17)25)7-3-6-21-8-10-28-11-9-21/h4-5,12,18,24-25H,3,6-11H2,1-2H3