2-[3-(3-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[3-(3-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[3-(3-bromophenyl)-6-oxo-pyridazin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[3-(3-bromophenyl)-6-oxo-1-pyridazinyl]ethyl-diethylammonium IUPAC Name: 2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]ethyl-diethylazanium Traditional Name: 2-[3-(3-bromophenyl)-6-keto-pyridazin-1-yl]ethyl-diethyl-ammonium Formula: C16H21BrN3O+ MolecularWeight: 351.26144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C=CC(=N1)C2=CC(=CC=C2)Br

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C=CC(=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H20BrN3O/c1-3-19(4-2)10-11-20-16(21)9-8-15(18-20)13-6-5-7-14(17)12-13/h5-9,12H,3-4,10-11H2,1-2H3/p+1