5-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-(4-methylphenyl)carbonyl-pyrrolidine-2,3-dione

Systemtic Name: 5-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-(4-methylphenyl)carbonyl-pyrrolidine-2,3-dione Openeye Name: 5-(2-furyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-(4-methylbenzoyl)pyrrolidine-2,3-dione CAS Name: 5-(2-furanyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[(4-methylphenyl)-oxomethyl]pyrrolidine-2,3-dione IUPAC Name: 5-(furan-2-yl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-(4-methylbenzoyl)pyrrolidine-2,3-dione Traditional Name: 5-(2-furyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-p-toluoyl-pyrrolidine-2,3-quinone Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=CO4

InChI

InChI=1S/C22H21N3O4/c1-15-5-7-16(8-6-15)20(26)18-19(17-4-2-13-29-17)25(22(28)21(18)27)11-3-10-24-12-9-23-14-24/h2,4-9,12-14,18-19H,3,10-11H2,1H3/p+1