2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl-trimethyl-azanium iodide Openeye Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-pyridazin-1-yl]ethyl-trimethyl-ammonium iodide CAS Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-1-pyridazinyl]ethyl-trimethylammonium iodide IUPAC Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl-trimethylazanium iodide Traditional Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-keto-pyridazin-1-yl]ethyl-trimethyl-ammonium iodide Formula: C23H24Cl2IN3O2 MolecularWeight: 572.26603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=NN(C1=O)CC[N+](C)(C)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.[I-]

Isomeric SMILES

CC(=O)C1=C(C(=NN(C1=O)CC[N+](C)(C)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.[I-]

InChI

InChI=1S/C23H24Cl2N3O2.HI/c1-15(29)20-21(16-5-9-18(24)10-6-16)22(17-7-11-19(25)12-8-17)26-27(23(20)30)13-14-28(2,3)4;/h5-12H,13-14H2,1-4H3;1H/q+1;/p-1