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

Systemtic Name: 4-[3-ethanoyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]phenolate Openeye Name: 4-[3-acetyl-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]phenolate CAS Name: 4-[3-acetyl-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-2-yl]phenolate IUPAC Name: 4-[3-acetyl-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]phenolate Traditional Name: 4-[3-acetyl-4-hydroxy-5-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-yl]phenolate Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5/c1-13(22)16-17(14-3-5-15(23)6-4-14)21(19(25)18(16)24)8-2-7-20-9-11-26-12-10-20/h3-6,17,23-24H,2,7-12H2,1H3