methyl-[2-[3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propanoylamino]ethyl]ammonium CAS Name: methyl-[2-[[3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-1-oxopropyl]amino]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanoylamino]ethyl]azanium Traditional Name: benzyl-[2-[3-[6-keto-3-(p-tolyl)pyridazin-1-yl]propanoylamino]ethyl]-methyl-ammonium Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)NCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)NCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O2/c1-19-8-10-21(11-9-19)22-12-13-24(30)28(26-22)16-14-23(29)25-15-17-27(2)18-20-6-4-3-5-7-20/h3-13H,14-18H2,1-2H3,(H,25,29)/p+1