3-[3-[3-(4-chlorophenyl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[3-[3-(4-chlorophenyl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[3-[3-(4-chlorophenyl)-6-oxo-pyridazin-1-yl]propanoylamino]propyl]-methyl-ammonium CAS Name: 3-[[3-[3-(4-chlorophenyl)-6-oxo-1-pyridazinyl]-1-oxopropyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanoylamino]propyl]-methylazanium Traditional Name: benzyl-[3-[3-[3-(4-chlorophenyl)-6-keto-pyridazin-1-yl]propanoylamino]propyl]-methyl-ammonium Formula: C24H28ClN4O2+ MolecularWeight: 439.95772

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C24H27ClN4O2/c1-28(18-19-6-3-2-4-7-19)16-5-15-26-23(30)14-17-29-24(31)13-12-22(27-29)20-8-10-21(25)11-9-20/h2-4,6-13H,5,14-18H2,1H3,(H,26,30)/p+1