2-(3-bromophenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(3-bromophenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(3-bromophenyl)-3-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(3-bromophenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(3-bromophenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(3-bromophenyl)-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C26H25BrN2O6 MolecularWeight: 541.3905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)Br)CC[NH+]5CCOCC5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)Br)CC[NH+]5CCOCC5)[O-]

InChI

InChI=1S/C26H25BrN2O6/c1-33-19-7-3-5-17-15-20(35-25(17)19)23(30)21-22(16-4-2-6-18(27)14-16)29(26(32)24(21)31)9-8-28-10-12-34-13-11-28/h2-7,14-15,22,31H,8-13H2,1H3