5-(3-bromophenyl)-4-(4-methoxy-2-methyl-phenyl)carbonyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(3-bromophenyl)-4-(4-methoxy-2-methyl-phenyl)carbonyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 5-(3-bromophenyl)-4-(4-methoxy-2-methyl-benzoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 5-(3-bromophenyl)-4-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 5-(3-bromophenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 5-(3-bromophenyl)-4-(4-methoxy-2-methyl-benzoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C25H22BrN2O4+ MolecularWeight: 494.35718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H21BrN2O4/c1-15-11-19(32-2)8-9-20(15)23(29)21-22(17-6-3-7-18(26)12-17)28(25(31)24(21)30)14-16-5-4-10-27-13-16/h3-13,21-22H,14H2,1-2H3/p+1