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

Systemtic Name: 2-[(2R)-3-ethanoyl-2-(4-hydroxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)azanium Openeye Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)ammonium CAS Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)ammonium IUPAC Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)azanium Traditional Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-5-keto-3-pyrrolin-1-yl]ethyl-(2-hydroxyethyl)ammonium Formula: C16H21N2O5+ MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)O)CC[NH2+]CCO)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=C(C=C2)O)CC[NH2+]CCO)O

InChI

InChI=1S/C16H20N2O5/c1-10(20)13-14(11-2-4-12(21)5-3-11)18(16(23)15(13)22)8-6-17-7-9-19/h2-5,14,17,19,21-22H,6-9H2,1H3/p+1/t14-/m1/s1