[2-acetyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ethanoate tetrafluoroborate

Systemtic Name: [2-acetyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ethanoate tetrafluoroborate Openeye Name: [2-acetoxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] acetate tetrafluoroborate CAS Name: acetic acid [2-acetyloxy-3-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester tetrafluoroborate IUPAC Name: [2-acetyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] acetate tetrafluoroborate Traditional Name: acetic acid [2-acetoxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester tetrafluoroborate Formula: C15H22BF4NO4 MolecularWeight: 367.144093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22NO4.BF4/c1-10-6-11(2)16(12(3)7-10)8-15(20-14(5)18)9-19-13(4)17;2-1(3,4)5/h6-7,15H,8-9H2,1-5H3;/q+1;-1