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

Systemtic Name: 3-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(2-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(2-methoxyphenyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C25H27N2O5+ MolecularWeight: 435.49228

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=CC=C4OC

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4OC

InChI

InChI=1S/C25H26N2O5/c1-26(2)13-8-14-27-22(17-10-5-7-12-19(17)31-3)21(24(29)25(27)30)23(28)20-15-16-9-4-6-11-18(16)32-20/h4-7,9-12,15,22,29H,8,13-14H2,1-3H3/p+1/t22-/m0/s1