2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(4-fluoro-3-methoxy-phenyl)-5-methyl-4-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(4-fluoro-3-methoxyphenyl)-5-methyl-4-[[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(4-fluoro-3-methoxyphenyl)-5-methyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(4-fluoro-3-methoxy-phenyl)-5-methyl-4-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C22H26FN4O2+ MolecularWeight: 397.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=C(C=C2)F)OC)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=C(C=C2)F)OC)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H25FN4O2/c1-16-20(25-22(29-16)17-6-7-19(23)21(13-17)28-2)15-27-11-9-26(10-12-27)14-18-5-3-4-8-24-18/h3-8,13H,9-12,14-15H2,1-2H3/p+1