2,2-bis(oxidanyl)ethyl-dodecyl-(phenylmethyl)azanium tetrafluoroborate

Systemtic Name: 2,2-bis(oxidanyl)ethyl-dodecyl-(phenylmethyl)azanium tetrafluoroborate Openeye Name: benzyl-(2,2-dihydroxyethyl)-dodecyl-ammonium tetrafluoroborate CAS Name: 2,2-dihydroxyethyl-dodecyl-(phenylmethyl)ammonium tetrafluoroborate IUPAC Name: benzyl-(2,2-dihydroxyethyl)-dodecylazanium tetrafluoroborate Traditional Name: benzyl-(2,2-dihydroxyethyl)-lauryl-ammonium tetrafluoroborate Formula: C21H38BF4NO2 MolecularWeight: 423.336533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCC[NH+](CC1=CC=CC=C1)CC(O)O

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCC[NH+](CC1=CC=CC=C1)CC(O)O

InChI

InChI=1S/C21H37NO2.BF4/c1-2-3-4-5-6-7-8-9-10-14-17-22(19-21(23)24)18-20-15-12-11-13-16-20;2-1(3,4)5/h11-13,15-16,21,23-24H,2-10,14,17-19H2,1H3;/q;-1/p+1