2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenyl-ethanol; 1-phenylethanol; tetrafluoroborate

Systemtic Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenyl-ethanol; 1-phenylethanol; tetrafluoroborate Openeye Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenyl-ethanol; 1-phenylethanol; tetrafluoroborate CAS Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenylethanol; 1-phenylethanol; tetrafluoroborate IUPAC Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenylethanol; 1-phenylethanol; tetrafluoroborate Traditional Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenyl-ethanol; 1-phenylethanol; tetrafluoroborate Formula: C22H30BF4NO2 MolecularWeight: 427.283713

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C1=CC=CC=C1)O.C[N+]1(CCC=CC1)C(CO)C2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.CC(C1=CC=CC=C1)O.C[N+]1(CCC=CC1)C(CO)C2=CC=CC=C2

InChI

InChI=1S/C14H20NO.C8H10O.BF4/c1-15(10-6-3-7-11-15)14(12-16)13-8-4-2-5-9-13;1-7(9)8-5-3-2-4-6-8;2-1(3,4)5/h2-6,8-9,14,16H,7,10-12H2,1H3;2-7,9H,1H3;/q+1;;-1