2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2,4,6-trimethyl-3-nitro-phenyl)ethanone bromide

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2,4,6-trimethyl-3-nitro-phenyl)ethanone bromide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2,4,6-trimethyl-3-nitro-phenyl)ethanone bromide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(2,4,6-trimethyl-3-nitrophenyl)ethanone bromide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2,4,6-trimethyl-3-nitrophenyl)ethanone bromide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2,4,6-trimethyl-3-nitro-phenyl)ethanone bromide Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)CC(=O)C2=C(C(=C(C=C2C)C)[N+](=O)[O-])C)C.[Br-]

Isomeric SMILES

CC1=CC(=C[N+](=C1)CC(=O)C2=C(C(=C(C=C2C)C)[N+](=O)[O-])C)C.[Br-]

InChI

InChI=1S/C18H21N2O3.BrH/c1-11-6-12(2)9-19(8-11)10-16(21)17-13(3)7-14(4)18(15(17)5)20(22)23;/h6-9H,10H2,1-5H3;1H/q+1;/p-1