dimethyl-[(1S)-1-phenyl-2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-1-phenyl-2-[[5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]ammonium Formula: C16H20F3N3+2 MolecularWeight: 311.34531

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=[NH+]C=C(C=C1)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC1=[NH+]C=C(C=C1)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C16H18F3N3/c1-22(2)14(12-6-4-3-5-7-12)11-21-15-9-8-13(10-20-15)16(17,18)19/h3-10,14H,11H2,1-2H3,(H,20,21)/p+2/t14-/m1/s1