1-[2-azanyl-5-(trifluoromethyl)phenyl]-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: 1-[2-azanyl-5-(trifluoromethyl)phenyl]-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: 1-[2-amino-5-(trifluoromethyl)phenyl]quinuclidin-1-ium-3-amine CAS Name: 1-[2-amino-5-(trifluoromethyl)phenyl]-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: 1-[2-amino-5-(trifluoromethyl)phenyl]-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: [2-(3-aminoquinuclidin-1-ium-1-yl)-4-(trifluoromethyl)phenyl]amine Formula: C14H19F3N3+ MolecularWeight: 286.31597

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)N)C3=C(C=CC(=C3)C(F)(F)F)N

Isomeric SMILES

C1C[N+]2(CCC1C(C2)N)C3=C(C=CC(=C3)C(F)(F)F)N

InChI

InChI=1S/C14H19F3N3/c15-14(16,17)10-1-2-11(18)13(7-10)20-5-3-9(4-6-20)12(19)8-20/h1-2,7,9,12H,3-6,8,18-19H2/q+1