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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C

InChI

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