1-(2-fluorophenyl)-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-6-methyl-pyridazin-4-one

Systemtic Name: 1-(2-fluorophenyl)-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-6-methyl-pyridazin-4-one Openeye Name: 1-(2-fluorophenyl)-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-6-methyl-pyridazin-4-one CAS Name: 1-(2-fluorophenyl)-3-[[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-4-pyridazinone IUPAC Name: 1-(2-fluorophenyl)-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-6-methylpyridazin-4-one Traditional Name: 1-(2-fluorophenyl)-3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-6-methyl-pyridazin-4-one Formula: C25H28FN4O4+ MolecularWeight: 467.512623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CC[NH+](CC3)CCOC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CC[NH+](CC3)CCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27FN4O4/c1-18-17-23(31)24(27-30(18)22-6-4-3-5-21(22)26)25(32)29-13-11-28(12-14-29)15-16-34-20-9-7-19(33-2)8-10-20/h3-10,17H,11-16H2,1-2H3/p+1