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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH2+]CCO)O)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH2+]CCO)O)C(=O)C

InChI

InChI=1S/C18H24N2O4/c1-3-13-4-6-14(7-5-13)16-15(12(2)22)17(23)18(24)20(16)10-8-19-9-11-21/h4-7,16,19,21,23H,3,8-11H2,1-2H3/p+1/t16-/m0/s1