5-(4-bromophenyl)-4-(5-methylfuran-2-yl)carbonyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(4-bromophenyl)-4-(5-methylfuran-2-yl)carbonyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 5-(4-bromophenyl)-4-(5-methylfuran-2-carbonyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 5-(4-bromophenyl)-4-[(5-methyl-2-furanyl)-oxomethyl]-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 5-(4-bromophenyl)-4-(5-methylfuran-2-carbonyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 5-(4-bromophenyl)-4-(5-methyl-2-furoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C22H18BrN2O4+ MolecularWeight: 454.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O4/c1-13-4-9-17(29-13)20(26)18-19(15-5-7-16(23)8-6-15)25(22(28)21(18)27)12-14-3-2-10-24-11-14/h2-11,18-19H,12H2,1H3/p+1