6-(3-chloranyl-5-methyl-phenyl)carbonyl-1-[(2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)methyl]-5-propan-2-yl-pyrimidine-2,4-dione

Systemtic Name: 6-(3-chloranyl-5-methyl-phenyl)carbonyl-1-[(2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)methyl]-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 6-(3-chloro-5-methyl-benzoyl)-1-[(2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl)methyl]-5-isopropyl-pyrimidine-2,4-dione CAS Name: 6-[(3-chloro-5-methylphenyl)-oxomethyl]-1-[(2,6-dimethyl-1-oxido-4-pyridin-1-iumyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 6-(3-chloro-5-methylbenzoyl)-1-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)methyl]-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 6-(3-chloro-5-methyl-benzoyl)-1-[(2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl)methyl]-5-isopropyl-pyrimidine-2,4-quinone Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=[N+](C(=C3)C)[O-])C)C(C)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=[N+](C(=C3)C)[O-])C)C(C)C)Cl

InChI

InChI=1S/C23H24ClN3O4/c1-12(2)19-20(21(28)17-6-13(3)7-18(24)10-17)26(23(30)25-22(19)29)11-16-8-14(4)27(31)15(5)9-16/h6-10,12H,11H2,1-5H3,(H,25,29,30)