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

Systemtic Name: 3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-6-methyl-1-phenyl-pyridazin-4-one Openeye Name: 3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-phenyl-pyridazin-4-one CAS Name: 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-1-phenyl-4-pyridazinone IUPAC Name: 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one Traditional Name: 3-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]-6-methyl-1-phenyl-pyridazin-4-one Formula: C24H26FN4O3+ MolecularWeight: 437.486643

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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(=C(C=C4)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN4O3/c1-17-14-21(30)23(26-29(17)19-6-4-3-5-7-19)24(31)28-12-10-27(11-13-28)16-18-8-9-22(32-2)20(25)15-18/h3-9,14-15H,10-13,16H2,1-2H3/p+1