1-[4-(phenylmethyl)pyridin-1-ium-1-yl]dodecan-1-one tetrafluoroborate

Systemtic Name: 1-[4-(phenylmethyl)pyridin-1-ium-1-yl]dodecan-1-one tetrafluoroborate Openeye Name: 1-(4-benzylpyridin-1-ium-1-yl)dodecan-1-one tetrafluoroborate CAS Name: 1-[4-(phenylmethyl)-1-pyridin-1-iumyl]-1-dodecanone tetrafluoroborate IUPAC Name: 1-(4-benzylpyridin-1-ium-1-yl)dodecan-1-one tetrafluoroborate Traditional Name: 1-(4-benzylpyridin-1-ium-1-yl)dodecan-1-one tetrafluoroborate Formula: C24H34BF4NO MolecularWeight: 439.337473

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCC(=O)[N+]1=CC=C(C=C1)CC2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCC(=O)[N+]1=CC=C(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C24H34NO.BF4/c1-2-3-4-5-6-7-8-9-13-16-24(26)25-19-17-23(18-20-25)21-22-14-11-10-12-15-22;2-1(3,4)5/h10-12,14-15,17-20H,2-9,13,16,21H2,1H3;/q+1;-1