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

Systemtic Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C19H19F3N3O+ MolecularWeight: 362.36887

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H18F3N3O/c20-19(21,22)15-7-5-14(6-8-15)13-24-9-11-25(12-10-24)18-23-16-3-1-2-4-17(16)26-18/h1-8H,9-13H2/p+1