4-[[2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one

Systemtic Name: 4-[[2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Openeye Name: 4-[[2-(4-fluoro-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one CAS Name: 4-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-1-phenyl-2-piperazin-4-iumone IUPAC Name: 4-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-4-ium-2-one Traditional Name: 4-[[2-(4-fluoro-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Formula: C22H23FN3O3+ MolecularWeight: 396.434723

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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(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=C(C=C2)F)OC)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22FN3O3/c1-15-19(24-22(29-15)16-8-9-18(23)20(12-16)28-2)13-25-10-11-26(21(27)14-25)17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3/p+1