5-(3-methoxyphenyl)-4-(4-methylphenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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