4-(4-methoxy-2-methyl-phenyl)carbonyl-5-(3-methoxy-4-oxidanyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione

Systemtic Name: 4-(4-methoxy-2-methyl-phenyl)carbonyl-5-(3-methoxy-4-oxidanyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione Openeye Name: 5-(4-hydroxy-3-methoxy-phenyl)-4-(4-methoxy-2-methyl-benzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione CAS Name: 5-(4-hydroxy-3-methoxyphenyl)-4-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]pyrrolidine-2,3-dione IUPAC Name: 5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione Traditional Name: 5-(4-hydroxy-3-methoxy-phenyl)-4-(4-methoxy-2-methyl-benzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-quinone Formula: C27H33N2O7+ MolecularWeight: 497.56012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC(=C(C=C4)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C27H32N2O7/c1-17-15-19(34-2)6-7-20(17)25(31)23-24(18-5-8-21(30)22(16-18)35-3)29(27(33)26(23)32)10-4-9-28-11-13-36-14-12-28/h5-8,15-16,23-24,30H,4,9-14H2,1-3H3/p+1