2-[[4-(4,5-dihydro-1H-imidazol-1-ium-1-yl)phenyl]-ethyl-amino]ethanol tetrafluoroborate

Systemtic Name: 2-[[4-(4,5-dihydro-1H-imidazol-1-ium-1-yl)phenyl]-ethyl-amino]ethanol tetrafluoroborate Openeye Name: 2-[4-(4,5-dihydro-1H-imidazol-1-ium-1-yl)-N-ethyl-anilino]ethanol tetrafluoroborate CAS Name: 2-[4-(4,5-dihydro-1H-imidazol-1-ium-1-yl)-N-ethylanilino]ethanol tetrafluoroborate IUPAC Name: 2-[4-(4,5-dihydro-1H-imidazol-1-ium-1-yl)-N-ethylanilino]ethanol tetrafluoroborate Traditional Name: 2-[N-ethyl-4-(2-imidazolin-1-ium-1-yl)anilino]ethanol tetrafluoroborate Formula: C13H20BF4N3O MolecularWeight: 321.122013

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCN(CCO)C1=CC=C(C=C1)[NH+]2CCN=C2

Isomeric SMILES

[B-](F)(F)(F)F.CCN(CCO)C1=CC=C(C=C1)[NH+]2CCN=C2

InChI

InChI=1S/C13H19N3O.BF4/c1-2-15(9-10-17)12-3-5-13(6-4-12)16-8-7-14-11-16;2-1(3,4)5/h3-6,11,17H,2,7-10H2,1H3;/q;-1/p+1