2-(2-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate

Systemtic Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate Openeye Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate CAS Name: 2-(2-methyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)ethanone bromide hydrate IUPAC Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate Traditional Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate Formula: C14H15BrN2O4 MolecularWeight: 355.1839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-].O.[Br-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-].O.[Br-]

InChI

InChI=1S/C14H13N2O3.BrH.H2O/c1-11-5-2-3-8-15(11)10-14(17)12-6-4-7-13(9-12)16(18)19;;/h2-9H,10H2,1H3;1H;1H2/q+1;;/p-1