1,1-dimethyl-5-(4-nitrophenyl)-2,6-dihydropyridin-1-ium-3-one bromide

Systemtic Name: 1,1-dimethyl-5-(4-nitrophenyl)-2,6-dihydropyridin-1-ium-3-one bromide Openeye Name: 1,1-dimethyl-5-(4-nitrophenyl)-2,6-dihydropyridin-1-ium-3-one bromide CAS Name: 1,1-dimethyl-5-(4-nitrophenyl)-2,6-dihydropyridin-1-ium-3-one bromide IUPAC Name: 1,1-dimethyl-5-(4-nitrophenyl)-2,6-dihydropyridin-1-ium-3-one bromide Traditional Name: 1,1-dimethyl-5-(4-nitrophenyl)-2,6-dihydropyridin-1-ium-3-one bromide Formula: C13H15BrN2O3 MolecularWeight: 327.1738

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=CC(=O)C1)C2=CC=C(C=C2)[N+](=O)[O-])C.[Br-]

Isomeric SMILES

C[N+]1(CC(=CC(=O)C1)C2=CC=C(C=C2)[N+](=O)[O-])C.[Br-]

InChI

InChI=1S/C13H15N2O3.BrH/c1-15(2)8-11(7-13(16)9-15)10-3-5-12(6-4-10)14(17)18;/h3-7H,8-9H2,1-2H3;1H/q+1;/p-1