2-(5-ethoxycarbonyl-6-oxidanylidene-3,4-diphenyl-pyridazin-1-yl)ethyl-diethyl-azanium chloride

Systemtic Name: 2-(5-ethoxycarbonyl-6-oxidanylidene-3,4-diphenyl-pyridazin-1-yl)ethyl-diethyl-azanium chloride Openeye Name: 2-(5-ethoxycarbonyl-6-oxo-3,4-diphenyl-pyridazin-1-yl)ethyl-diethyl-ammonium chloride CAS Name: 2-(5-ethoxycarbonyl-6-oxo-3,4-diphenyl-1-pyridazinyl)ethyl-diethylammonium chloride IUPAC Name: 2-(5-ethoxycarbonyl-6-oxo-3,4-diphenylpyridazin-1-yl)ethyl-diethylazanium chloride Traditional Name: 2-(5-carbethoxy-6-keto-3,4-diphenyl-pyridazin-1-yl)ethyl-diethyl-ammonium chloride Formula: C25H30ClN3O3 MolecularWeight: 455.977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC.[Cl-]

InChI

InChI=1S/C25H29N3O3.ClH/c1-4-27(5-2)17-18-28-24(29)22(25(30)31-6-3)21(19-13-9-7-10-14-19)23(26-28)20-15-11-8-12-16-20;/h7-16H,4-6,17-18H2,1-3H3;1H