1-(4-bromanyl-3-methyl-phenyl)-3-phenylazanyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione chloride

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-phenylazanyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione chloride Openeye Name: 3-anilino-1-(4-bromo-3-methyl-phenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione chloride CAS Name: 3-anilino-1-(4-bromo-3-methylphenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione chloride IUPAC Name: 3-anilino-1-(4-bromo-3-methylphenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione chloride Traditional Name: 3-anilino-1-(4-bromo-3-methyl-phenyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone chloride Formula: C22H17BrClN3O2 MolecularWeight: 470.74628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC=C3)NC4=CC=CC=C4)Br.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC=C3)NC4=CC=CC=C4)Br.[Cl-]

InChI

InChI=1S/C22H16BrN3O2.ClH/c1-15-14-17(10-11-18(15)23)26-21(27)19(24-16-8-4-2-5-9-16)20(22(26)28)25-12-6-3-7-13-25;/h2-14H,1H3;1H