1-(4-methyl-3-nitro-phenyl)-2-quinolin-1-ium-1-yl-ethanone bromide hydrate

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-quinolin-1-ium-1-yl-ethanone bromide hydrate Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-quinolin-1-ium-1-yl-ethanone bromide hydrate CAS Name: 1-(4-methyl-3-nitrophenyl)-2-(1-quinolin-1-iumyl)ethanone bromide hydrate IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-quinolin-1-ium-1-ylethanone bromide hydrate Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-quinolin-1-ium-1-yl-ethanone bromide hydrate Formula: C18H17BrN2O4 MolecularWeight: 405.24258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC3=CC=CC=C32)[N+](=O)[O-].O.[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC3=CC=CC=C32)[N+](=O)[O-].O.[Br-]

InChI

InChI=1S/C18H15N2O3.BrH.H2O/c1-13-8-9-15(11-17(13)20(22)23)18(21)12-19-10-4-6-14-5-2-3-7-16(14)19;;/h2-11H,12H2,1H3;1H;1H2/q+1;;/p-1