(2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol tetrafluoroborate

Systemtic Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol tetrafluoroborate Openeye Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol tetrafluoroborate CAS Name: (2S)-2-[(1-butyl-3-methyl-2-imidazol-3-iumyl)methylamino]-3-phenyl-1-propanol tetrafluoroborate IUPAC Name: (2S)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-3-phenylpropan-1-ol tetrafluoroborate Traditional Name: (2S)-2-[(1-butyl-3-methyl-imidazol-3-ium-2-yl)methylamino]-3-phenyl-propan-1-ol tetrafluoroborate Formula: C18H28BF4N3O MolecularWeight: 389.239033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCN1C=C[N+](=C1CNC(CC2=CC=CC=C2)CO)C

Isomeric SMILES

[B-](F)(F)(F)F.CCCCN1C=C[N+](=C1CN[C@@H](CC2=CC=CC=C2)CO)C

InChI

InChI=1S/C18H28N3O.BF4/c1-3-4-10-21-12-11-20(2)18(21)14-19-17(15-22)13-16-8-6-5-7-9-16;2-1(3,4)5/h5-9,11-12,17,19,22H,3-4,10,13-15H2,1-2H3;/q+1;-1/t17-;/m0./s1