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

Systemtic Name: 3-[(2S)-3-ethanoyl-2-(4-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-acetyl-3-hydroxy-2-keto-5-(4-methoxyphenyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C18H25N2O4+ MolecularWeight: 333.4021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=C(C=C2)OC)CCC[NH+](C)C)O

InChI

InChI=1S/C18H24N2O4/c1-12(21)15-16(13-6-8-14(24-4)9-7-13)20(18(23)17(15)22)11-5-10-19(2)3/h6-9,16,22H,5,10-11H2,1-4H3/p+1/t16-/m0/s1