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

Systemtic Name: 1-(3-nitrophenyl)-2-quinolin-1-ium-1-yl-ethanone bromide hydrate Openeye Name: 1-(3-nitrophenyl)-2-quinolin-1-ium-1-yl-ethanone bromide hydrate CAS Name: 1-(3-nitrophenyl)-2-(1-quinolin-1-iumyl)ethanone bromide hydrate IUPAC Name: 1-(3-nitrophenyl)-2-quinolin-1-ium-1-ylethanone bromide hydrate Traditional Name: 1-(3-nitrophenyl)-2-quinolin-1-ium-1-yl-ethanone bromide hydrate Formula: C17H15BrN2O4 MolecularWeight: 391.216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].O.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].O.[Br-]

InChI

InChI=1S/C17H13N2O3.BrH.H2O/c20-17(14-6-3-8-15(11-14)19(21)22)12-18-10-4-7-13-5-1-2-9-16(13)18;;/h1-11H,12H2;1H;1H2/q+1;;/p-1