4-[2-(2-bromanyl-4-nitro-phenyl)propan-2-yl]-1-methyl-pyridin-1-ium iodide

Systemtic Name: 4-[2-(2-bromanyl-4-nitro-phenyl)propan-2-yl]-1-methyl-pyridin-1-ium iodide Openeye Name: 4-[1-(2-bromo-4-nitro-phenyl)-1-methyl-ethyl]-1-methyl-pyridin-1-ium iodide CAS Name: 4-[2-(2-bromo-4-nitrophenyl)propan-2-yl]-1-methylpyridin-1-ium iodide IUPAC Name: 4-[2-(2-bromo-4-nitrophenyl)propan-2-yl]-1-methylpyridin-1-ium iodide Traditional Name: 4-[1-(2-bromo-4-nitro-phenyl)-1-methyl-ethyl]-1-methyl-pyridin-1-ium iodide Formula: C15H16BrIN2O2 MolecularWeight: 463.10821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN2O2.HI/c1-15(2,11-6-8-17(3)9-7-11)13-5-4-12(18(19)20)10-14(13)16;/h4-10H,1-3H3;1H/q+1;/p-1