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

Systemtic Name: 5-(2,3-dimethoxyphenyl)-4-(4-methoxy-3-methyl-phenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione Openeye Name: 5-(2,3-dimethoxyphenyl)-4-(4-methoxy-3-methyl-benzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione CAS Name: 5-(2,3-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]pyrrolidine-2,3-dione IUPAC Name: 5-(2,3-dimethoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione Traditional Name: 5-(2,3-dimethoxyphenyl)-4-(4-methoxy-3-methyl-benzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-quinone Formula: C28H35N2O7+ MolecularWeight: 511.5867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O7/c1-18-17-19(9-10-21(18)34-2)25(31)23-24(20-7-5-8-22(35-3)27(20)36-4)30(28(33)26(23)32)12-6-11-29-13-15-37-16-14-29/h5,7-10,17,23-24H,6,11-16H2,1-4H3/p+1