5-(4-fluorophenyl)-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2-oxazole

Systemtic Name: 5-(4-fluorophenyl)-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2-oxazole Openeye Name: 5-(4-fluorophenyl)-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-isoxazole CAS Name: 5-(4-fluorophenyl)-3-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methylisoxazole IUPAC Name: 5-(4-fluorophenyl)-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2-oxazole Traditional Name: 5-(4-fluorophenyl)-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-isoxazole Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(ON=C1C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O2/c1-16-21(24-28-22(16)17-6-8-18(23)9-7-17)15-25-10-12-26(13-11-25)19-4-3-5-20(14-19)27-2/h3-9,14H,10-13,15H2,1-2H3/p+1