6-(4-chlorophenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(4-chlorophenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]pyridazin-3-one Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-(4-chlorophenyl)pyridazin-3-one CAS Name: 6-(4-chlorophenyl)-2-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-3-pyridazinone IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-(4-chlorophenyl)pyridazin-3-one Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-(4-chlorophenyl)pyridazin-3-one Formula: C23H24ClN4O2+ MolecularWeight: 423.91526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN4O2/c24-20-8-6-19(7-9-20)21-10-11-22(29)28(25-21)17-23(30)27-14-12-26(13-15-27)16-18-4-2-1-3-5-18/h1-11H,12-17H2/p+1