4-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one

Systemtic Name: 4-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one Openeye Name: 4-chloro-5-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one CAS Name: 4-chloro-5-(4-ethyl-1-piperazin-4-iumyl)-2-[(4-fluorophenyl)methyl]-3-pyridazinone IUPAC Name: 4-chloro-5-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one Traditional Name: 4-chloro-5-(4-ethylpiperazin-4-ium-1-yl)-2-(4-fluorobenzyl)pyridazin-3-one Formula: C17H21ClFN4O+ MolecularWeight: 351.826243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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