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

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate Openeye Name: 2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)ethanone bromide hydrate IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate Traditional Name: 2-(3-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=C[N+](=CC=C1)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-].O.[Br-]

Isomeric SMILES

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

InChI

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