1-[(4-octadecoxyphenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate

Systemtic Name: 1-[(4-octadecoxyphenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate Openeye Name: 1-[(4-octadecoxyphenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate CAS Name: 1-[(4-octadecoxyphenyl)methyl]-4-pyridin-1-iumcarbonitrile tetrafluoroborate IUPAC Name: 1-[(4-octadecoxyphenyl)methyl]pyridin-1-ium-4-carbonitrile tetrafluoroborate Traditional Name: 1-(4-stearyloxybenzyl)pyridin-1-ium-4-carbonitrile tetrafluoroborate Formula: C31H47BF4N2O MolecularWeight: 550.522293

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C#N

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C#N

InChI

InChI=1S/C31H47N2O.BF4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-31-20-18-30(19-21-31)28-33-24-22-29(27-32)23-25-33;2-1(3,4)5/h18-25H,2-17,26,28H2,1H3;/q+1;-1