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

Systemtic Name: 1-(2-fluorophenyl)-6-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one Openeye Name: 1-(2-fluorophenyl)-3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-pyridazin-4-one CAS Name: 1-(2-fluorophenyl)-6-methyl-3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-4-pyridazinone IUPAC Name: 1-(2-fluorophenyl)-6-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]pyridazin-4-one Traditional Name: 1-(2-fluorophenyl)-3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-6-methyl-pyridazin-4-one Formula: C26H30FN4O2+ MolecularWeight: 449.540403

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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=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C26H29FN4O2/c1-18(2)21-10-8-20(9-11-21)17-29-12-14-30(15-13-29)26(33)25-24(32)16-19(3)31(28-25)23-7-5-4-6-22(23)27/h4-11,16,18H,12-15,17H2,1-3H3/p+1