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

Systemtic Name: butyl-methyl-[2-[3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]ethyl]azanium Openeye Name: butyl-methyl-[2-[3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propanoylamino]ethyl]ammonium CAS Name: butyl-methyl-[2-[[3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-1-oxopropyl]amino]ethyl]ammonium IUPAC Name: butyl-methyl-[2-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanoylamino]ethyl]azanium Traditional Name: butyl-[2-[3-[6-keto-3-(p-tolyl)pyridazin-1-yl]propanoylamino]ethyl]-methyl-ammonium Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2/c1-4-5-14-24(3)16-13-22-20(26)12-15-25-21(27)11-10-19(23-25)18-8-6-17(2)7-9-18/h6-11H,4-5,12-16H2,1-3H3,(H,22,26)/p+1