2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C18H18F3N4O+ MolecularWeight: 363.35693

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O/c19-18(20,21)13-5-6-16(22-11-13)25-9-7-24(8-10-25)12-17-23-14-3-1-2-4-15(14)26-17/h1-6,11H,7-10,12H2/p+1