2-(6-chloranylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-(6-chloranylquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(6-chloroquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(6-chloro-1-quinolin-1-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(6-chloroquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(6-chloroquinolin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C17H12BrClN2O3 MolecularWeight: 407.64578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=CC3=C2C=CC(=C3)Cl.[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=CC3=C2C=CC(=C3)Cl.[Br-]

InChI

InChI=1S/C17H12ClN2O3.BrH/c18-14-6-7-16-12(9-14)4-2-8-19(16)11-17(21)13-3-1-5-15(10-13)20(22)23;/h1-10H,11H2;1H/q+1;/p-1