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

Systemtic Name: 6-methyl-1-phenyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-1-phenyl-pyridazin-4-one CAS Name: 6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-phenyl-4-pyridazinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-1-phenyl-pyridazin-4-one Formula: C23H25N4O2+ MolecularWeight: 389.4702

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O2/c1-18-16-21(28)22(24-27(18)20-10-6-3-7-11-20)23(29)26-14-12-25(13-15-26)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3/p+1