3-[3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]propanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]propanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[3-[3-chloro-5-(trifluoromethyl)-2-pyridyl]propanoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoylamino]propyl-dimethylazanium Traditional Name: 3-[3-[3-chloro-5-(trifluoromethyl)-2-pyridyl]propanoylamino]propyl-dimethyl-ammonium Formula: C14H20ClF3N3O+ MolecularWeight: 338.77631

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)CCC1=C(C=C(C=N1)C(F)(F)F)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=O)CCC1=C(C=C(C=N1)C(F)(F)F)Cl

InChI

InChI=1S/C14H19ClF3N3O/c1-21(2)7-3-6-19-13(22)5-4-12-11(15)8-10(9-20-12)14(16,17)18/h8-9H,3-7H2,1-2H3,(H,19,22)/p+1