4-(1-benzofuran-2-ylcarbonyl)-5-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione

Systemtic Name: 4-(1-benzofuran-2-ylcarbonyl)-5-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione Openeye Name: 4-(benzofuran-2-carbonyl)-5-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione CAS Name: 4-[2-benzofuranyl(oxo)methyl]-5-(4-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]pyrrolidine-2,3-dione IUPAC Name: 4-(1-benzofuran-2-carbonyl)-5-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione Traditional Name: 4-(benzofuran-2-carbonyl)-5-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-quinone Formula: C27H29N2O6+ MolecularWeight: 477.52896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)C(=O)N2CCC[NH+]3CCOCC3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)C(=O)N2CCC[NH+]3CCOCC3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H28N2O6/c1-33-20-9-7-18(8-10-20)24-23(25(30)22-17-19-5-2-3-6-21(19)35-22)26(31)27(32)29(24)12-4-11-28-13-15-34-16-14-28/h2-3,5-10,17,23-24H,4,11-16H2,1H3/p+1