2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl benzenesulfonate tetrafluoroborate

Systemtic Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl benzenesulfonate tetrafluoroborate Openeye Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl benzenesulfonate tetrafluoroborate CAS Name: benzenesulfonic acid 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl ester tetrafluoroborate IUPAC Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl benzenesulfonate tetrafluoroborate Traditional Name: benzenesulfonic acid 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl ester tetrafluoroborate Formula: C16H20BF4NO3S MolecularWeight: 393.204513

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)CCOS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)CCOS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H20NO3S.BF4/c1-13-11-14(2)17(15(3)12-13)9-10-20-21(18,19)16-7-5-4-6-8-16;2-1(3,4)5/h4-8,11-12H,9-10H2,1-3H3;/q+1;-1