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

Systemtic Name: 3-[(2S)-2-(2,3-dimethoxyphenyl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-2-(2,3-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-2-(2,3-dimethoxyphenyl)-3-[2-furanyl(oxo)methyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-2-(2,3-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-2-(2,3-dimethoxyphenyl)-3-(2-furoyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C22H27N2O6+ MolecularWeight: 415.45958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H26N2O6/c1-23(2)11-7-12-24-18(14-8-5-9-16(28-3)21(14)29-4)17(20(26)22(24)27)19(25)15-10-6-13-30-15/h5-6,8-10,13,18,26H,7,11-12H2,1-4H3/p+1/t18-/m0/s1