ethyl 2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]acetate bromide CAS Name: 2-[3-(4-chlorophenyl)-1-pyridazin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C14H14BrClN2O2 MolecularWeight: 357.63016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=N1)C2=CC=C(C=C2)Cl.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=N1)C2=CC=C(C=C2)Cl.[Br-]

InChI

InChI=1S/C14H14ClN2O2.BrH/c1-2-19-14(18)10-17-9-3-4-13(16-17)11-5-7-12(15)8-6-11;/h3-9H,2,10H2,1H3;1H/q+1;/p-1