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

Systemtic Name: 3-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(furan-2-yl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-3-(benzofuran-2-carbonyl)-2-(2-furyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-[2-benzofuranyl(oxo)methyl]-2-(2-furanyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-3-(benzofuran-2-carbonyl)-2-(2-furyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C22H23N2O5+ MolecularWeight: 395.42842

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=CO4

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CO4

InChI

InChI=1S/C22H22N2O5/c1-23(2)10-6-11-24-19(16-9-5-12-28-16)18(21(26)22(24)27)20(25)17-13-14-7-3-4-8-15(14)29-17/h3-5,7-9,12-13,19,26H,6,10-11H2,1-2H3/p+1/t19-/m1/s1