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

Systemtic Name: 2-[3-[3-(4-chlorophenyl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[3-[3-(4-chlorophenyl)-6-oxo-pyridazin-1-yl]propanoylamino]ethyl]-methyl-ammonium CAS Name: 2-[[3-[3-(4-chlorophenyl)-6-oxo-1-pyridazinyl]-1-oxopropyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanoylamino]ethyl]-methylazanium Traditional Name: benzyl-[2-[3-[3-(4-chlorophenyl)-6-keto-pyridazin-1-yl]propanoylamino]ethyl]-methyl-ammonium Formula: C23H26ClN4O2+ MolecularWeight: 425.93114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O2/c1-27(17-18-5-3-2-4-6-18)16-14-25-22(29)13-15-28-23(30)12-11-21(26-28)19-7-9-20(24)10-8-19/h2-12H,13-17H2,1H3,(H,25,29)/p+1