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

Systemtic Name: 2-[(2S)-2-(3,4-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(2S)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C20H29N2O5+ MolecularWeight: 377.45466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)C)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H28N2O5/c1-6-21(7-2)10-11-22-18(17(13(3)23)19(24)20(22)25)14-8-9-15(26-4)16(12-14)27-5/h8-9,12,18,24H,6-7,10-11H2,1-5H3/p+1/t18-/m0/s1