4-chloranyl-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O/c1-17-7-5-6-8-18(17)16-25-11-13-26(14-12-25)20-15-24-27(22(28)21(20)23)19-9-3-2-4-10-19/h2-10,15H,11-14,16H2,1H3/p+1