3-[3-ethanoyl-2-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-diethyl-azanium

Systemtic Name: 3-[3-ethanoyl-2-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-diethyl-azanium Openeye Name: 3-[3-acetyl-2-(3-ethoxy-4-hydroxy-phenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-diethyl-ammonium CAS Name: 3-[3-acetyl-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-diethylammonium IUPAC Name: 3-[3-acetyl-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-diethylazanium Traditional Name: 3-[3-acetyl-2-(3-ethoxy-4-hydroxy-phenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-diethyl-ammonium Formula: C21H31N2O5+ MolecularWeight: 391.48124

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC(=C(C=C2)O)OCC

Isomeric SMILES

CC[NH+](CC)CCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC(=C(C=C2)O)OCC

InChI

InChI=1S/C21H30N2O5/c1-5-22(6-2)11-8-12-23-19(18(14(4)24)20(26)21(23)27)15-9-10-16(25)17(13-15)28-7-3/h9-10,13,19,25-26H,5-8,11-12H2,1-4H3/p+1