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

Systemtic Name: 2-[2-[3-(4-chlorophenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[2-[3-(4-chlorophenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[2-[3-(4-chlorophenyl)-6-oxo-1-pyridazinyl]-1-oxoethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[2-[3-(4-chlorophenyl)-6-keto-pyridazin-1-yl]acetyl]amino]ethyl]-methyl-ammonium Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCNC(=O)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H23ClN4O2/c1-26(15-17-5-3-2-4-6-17)14-13-24-21(28)16-27-22(29)12-11-20(25-27)18-7-9-19(23)10-8-18/h2-12H,13-16H2,1H3,(H,24,28)/p+1