2-[3,5-bis(chloranyl)phenyl]-4-[(4-ethanoylphenyl)methyl]-4-methyl-1,2,4-triazin-4-ium-3,5-dione

Systemtic Name: 2-[3,5-bis(chloranyl)phenyl]-4-[(4-ethanoylphenyl)methyl]-4-methyl-1,2,4-triazin-4-ium-3,5-dione Openeye Name: 4-[(4-acetylphenyl)methyl]-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazin-4-ium-3,5-dione CAS Name: 4-[(4-acetylphenyl)methyl]-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazin-4-ium-3,5-dione IUPAC Name: 4-[(4-acetylphenyl)methyl]-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazin-4-ium-3,5-dione Traditional Name: 4-(4-acetylbenzyl)-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazin-4-ium-3,5-quinone Formula: C19H16Cl2N3O3+ MolecularWeight: 405.25464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C[N+]2(C(=O)C=NN(C2=O)C3=CC(=CC(=C3)Cl)Cl)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C[N+]2(C(=O)C=NN(C2=O)C3=CC(=CC(=C3)Cl)Cl)C

InChI

InChI=1S/C19H16Cl2N3O3/c1-12(25)14-5-3-13(4-6-14)11-24(2)18(26)10-22-23(19(24)27)17-8-15(20)7-16(21)9-17/h3-10H,11H2,1-2H3/q+1