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

Systemtic Name: 3-[2-(2,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-diethyl-azanium Openeye Name: 3-[3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-diethyl-ammonium CAS Name: 3-[3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-diethylammonium IUPAC Name: 3-[3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-diethylazanium Traditional Name: 3-[3-acetyl-2-(2,4-dimethoxyphenyl)-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=C(C=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

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