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

Systemtic Name: 4-(4-methoxy-2-methyl-phenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolidine-2,3-dione Openeye Name: 4-(4-methoxy-2-methyl-benzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolidine-2,3-dione CAS Name: 4-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-phenylpyrrolidine-2,3-dione IUPAC Name: 4-(4-methoxy-2-methylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione Traditional Name: 4-(4-methoxy-2-methyl-benzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolidine-2,3-quinone Formula: C26H31N2O5+ MolecularWeight: 451.53474

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5/c1-18-17-20(32-2)9-10-21(18)24(29)22-23(19-7-4-3-5-8-19)28(26(31)25(22)30)12-6-11-27-13-15-33-16-14-27/h3-5,7-10,17,22-23H,6,11-16H2,1-2H3/p+1