2-azaniumyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoate tetrafluoroborate

Systemtic Name: 2-azaniumyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoate tetrafluoroborate Openeye Name: 2-azaniumyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoate tetrafluoroborate CAS Name: 2-ammonio-6-(2,4,6-trimethyl-1-pyridin-1-iumyl)hexanoate tetrafluoroborate IUPAC Name: 2-azaniumyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoate tetrafluoroborate Traditional Name: 2-ammonio-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoate tetrafluoroborate Formula: C14H23BF4N2O2 MolecularWeight: 338.149233

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)CCCCC(C(=O)[O-])[NH3+])C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)CCCCC(C(=O)[O-])[NH3+])C

InChI

InChI=1S/C14H22N2O2.BF4/c1-10-8-11(2)16(12(3)9-10)7-5-4-6-13(15)14(17)18;2-1(3,4)5/h8-9,13H,4-7,15H2,1-3H3;/q;-1/p+1