3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-6-methyl-1-phenyl-pyridazin-4-one

Systemtic Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-6-methyl-1-phenyl-pyridazin-4-one Openeye Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-phenyl-pyridazin-4-one CAS Name: 3-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-1-phenyl-4-pyridazinone IUPAC Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one Traditional Name: 3-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-6-methyl-1-phenyl-pyridazin-4-one Formula: C23H24ClN4O2+ MolecularWeight: 423.91526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O2/c1-17-14-21(29)22(25-28(17)20-8-3-2-4-9-20)23(30)27-12-10-26(11-13-27)16-18-6-5-7-19(24)15-18/h2-9,14-15H,10-13,16H2,1H3/p+1