2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(4-fluoro-3-methoxy-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 2-(4-fluoro-3-methoxyphenyl)-5-methyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(4-fluoro-3-methoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(4-fluoro-3-methoxy-phenyl)-5-methyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C20H23FN5O2+ MolecularWeight: 384.427323

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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)C4=NC=CC=N4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=C(C=C2)F)OC)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22FN5O2/c1-14-17(24-19(28-14)15-4-5-16(21)18(12-15)27-2)13-25-8-10-26(11-9-25)20-22-6-3-7-23-20/h3-7,12H,8-11,13H2,1-2H3/p+1