2-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridazinone IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-(2-chloro-4-fluoro-benzyl)-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Formula: C17H21ClFN4O+ MolecularWeight: 351.826243

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H20ClFN4O/c1-21-5-2-6-22(8-7-21)15-10-17(24)23(20-11-15)12-13-3-4-14(19)9-16(13)18/h3-4,9-11H,2,5-8,12H2,1H3/p+1