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

Systemtic Name: 2-[3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]ethyl-bis(2-methylpropyl)azanium Openeye Name: diisobutyl-[2-[3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propanoylamino]ethyl]ammonium CAS Name: 2-[[3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-1-oxopropyl]amino]ethyl-bis(2-methylpropyl)ammonium IUPAC Name: 2-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanoylamino]ethyl-bis(2-methylpropyl)azanium Traditional Name: diisobutyl-[2-[3-[6-keto-3-(p-tolyl)pyridazin-1-yl]propanoylamino]ethyl]ammonium Formula: C24H37N4O2+ MolecularWeight: 413.57618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O2/c1-18(2)16-27(17-19(3)4)15-13-25-23(29)12-14-28-24(30)11-10-22(26-28)21-8-6-20(5)7-9-21/h6-11,18-19H,12-17H2,1-5H3,(H,25,29)/p+1