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

Systemtic Name: 1-(2-fluorophenyl)-6-methyl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one Openeye Name: 1-(2-fluorophenyl)-6-methyl-3-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-4-one CAS Name: 1-(2-fluorophenyl)-6-methyl-3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyridazinone IUPAC Name: 1-(2-fluorophenyl)-6-methyl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-4-one Traditional Name: 1-(2-fluorophenyl)-6-methyl-3-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]pyridazin-4-one Formula: C21H22FN4O2S+ MolecularWeight: 413.488383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C21H21FN4O2S/c1-15-13-19(27)20(23-26(15)18-7-3-2-6-17(18)22)21(28)25-10-8-24(9-11-25)14-16-5-4-12-29-16/h2-7,12-13H,8-11,14H2,1H3/p+1