3-but-3-enyl-1-hex-5-enyl-pyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-but-3-enyl-1-hex-5-enyl-pyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-but-3-enyl-1-hex-5-enyl-pyridin-1-ium; 2,2,2-trifluoroacetate CAS Name: 3-but-3-enyl-1-hex-5-enylpyridin-1-ium; 2,2,2-trifluoroacetate IUPAC Name: 3-but-3-enyl-1-hex-5-enylpyridin-1-ium; 2,2,2-trifluoroacetate Traditional Name: 3-but-3-enyl-1-hex-5-enyl-pyridin-1-ium; 2,2,2-trifluoroacetate Formula: C17H22F3NO2 MolecularWeight: 329.35729

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC[N+]1=CC=CC(=C1)CCC=C.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C=CCCCC[N+]1=CC=CC(=C1)CCC=C.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C15H22N.C2HF3O2/c1-3-5-7-8-12-16-13-9-11-15(14-16)10-6-4-2;3-2(4,5)1(6)7/h3-4,9,11,13-14H,1-2,5-8,10,12H2;(H,6,7)/q+1;/p-1