[4-[[(1-butyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(1-butyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(1-butyl-6-oxo-pyridazine-3-carbonyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(1-butyl-6-oxo-3-pyridazinyl)-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(1-butyl-6-oxopyridazine-3-carbonyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[(1-butyl-6-keto-pyridazine-3-carbonyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C21H31N4O2+ MolecularWeight: 371.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)NCC2=CC=C(C=C2)C[NH+](CC)CC

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)NCC2=CC=C(C=C2)C[NH+](CC)CC

InChI

InChI=1S/C21H30N4O2/c1-4-7-14-25-20(26)13-12-19(23-25)21(27)22-15-17-8-10-18(11-9-17)16-24(5-2)6-3/h8-13H,4-7,14-16H2,1-3H3,(H,22,27)/p+1