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

Systemtic Name: 2-[(2S)-2-(2,5-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-11(21)15-16(13-10-12(24-4)6-7-14(13)25-5)20(9-8-19(2)3)18(23)17(15)22/h6-7,10,16,22H,8-9H2,1-5H3/p+1/t16-/m0/s1