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

Systemtic Name: 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Openeye Name: 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one CAS Name: 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]-1-phenyl-2-piperazin-4-iumone IUPAC Name: 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-4-ium-2-one Traditional Name: 4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Formula: C22H21F3N3O2+ MolecularWeight: 416.41625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F3N3O2/c1-15-19(26-21(30-15)16-7-9-17(10-8-16)22(23,24)25)13-27-11-12-28(20(29)14-27)18-5-3-2-4-6-18/h2-10H,11-14H2,1H3/p+1