2-[(2R)-3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2R)-3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-keto-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C17H23N2O5+ MolecularWeight: 335.37492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-10(20)14-15(11-5-6-12(21)13(9-11)24-4)19(8-7-18(2)3)17(23)16(14)22/h5-6,9,15,21-22H,7-8H2,1-4H3/p+1/t15-/m1/s1