5-(3-bromophenyl)-4-[(4-methylphenyl)-oxidanyl-methylidene]-1-pyridin-1-ium-2-yl-pyrrolidine-2,3-dione

Systemtic Name: 5-(3-bromophenyl)-4-[(4-methylphenyl)-oxidanyl-methylidene]-1-pyridin-1-ium-2-yl-pyrrolidine-2,3-dione Openeye Name: 5-(3-bromophenyl)-4-[hydroxy(p-tolyl)methylene]-1-pyridin-1-ium-2-yl-pyrrolidine-2,3-dione CAS Name: 5-(3-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 5-(3-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-1-ium-2-ylpyrrolidine-2,3-dione Traditional Name: 5-(3-bromophenyl)-4-[hydroxy(p-tolyl)methylene]-1-pyridin-1-ium-2-yl-pyrrolidine-2,3-quinone Formula: C23H18BrN2O3+ MolecularWeight: 450.30462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=[NH+]3)C4=CC(=CC=C4)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=[NH+]3)C4=CC(=CC=C4)Br)O

InChI

InChI=1S/C23H17BrN2O3/c1-14-8-10-15(11-9-14)21(27)19-20(16-5-4-6-17(24)13-16)26(23(29)22(19)28)18-7-2-3-12-25-18/h2-13,20,27H,1H3/p+1