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

Systemtic Name: 3-[3-ethanoyl-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-diethyl-azanium Openeye Name: 3-[3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-diethyl-ammonium CAS Name: 3-[3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-diethylammonium IUPAC Name: 3-[3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-diethylazanium Traditional Name: 3-[4-acetyl-3-hydroxy-2-keto-5-(3-methoxyphenyl)-3-pyrrolin-1-yl]propyl-diethyl-ammonium Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-5-21(6-2)11-8-12-22-18(15-9-7-10-16(13-15)26-4)17(14(3)23)19(24)20(22)25/h7,9-10,13,18,24H,5-6,8,11-12H2,1-4H3/p+1