1-butyl-N,N,3-trimethyl-pyridin-1-ium-4-amine; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-butyl-N,N,3-trimethyl-pyridin-1-ium-4-amine; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-butyl-N,N,3-trimethyl-pyridin-1-ium-4-amine; 2,2,2-trifluoroacetate CAS Name: 1-butyl-N,N,3-trimethyl-4-pyridin-1-iumamine; 2,2,2-trifluoroacetate IUPAC Name: 1-butyl-N,N,3-trimethylpyridin-1-ium-4-amine; 2,2,2-trifluoroacetate Traditional Name: (1-butyl-3-methyl-pyridin-1-ium-4-yl)-dimethyl-amine; 2,2,2-trifluoroacetate Formula: C14H21F3N2O2 MolecularWeight: 306.32395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N2.C2HF3O2/c1-5-6-8-14-9-7-12(13(3)4)11(2)10-14;3-2(4,5)1(6)7/h7,9-10H,5-6,8H2,1-4H3;(H,6,7)/q+1;/p-1