3-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-methoxycarbonylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-methoxycarbonylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-3-(benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxycarbonylphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-3-(benzofuran-2-carbonyl)-2-(4-carbomethoxyphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C26H27N2O6+ MolecularWeight: 463.50238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H26N2O6/c1-27(2)13-6-14-28-22(16-9-11-17(12-10-16)26(32)33-3)21(24(30)25(28)31)23(29)20-15-18-7-4-5-8-19(18)34-20/h4-5,7-12,15,22,30H,6,13-14H2,1-3H3/p+1/t22-/m1/s1