(3R,4S)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-2-ium tetrafluoroborate

Systemtic Name: (3R,4S)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-2-ium tetrafluoroborate Openeye Name: (3R,4S)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-2-ium tetrafluoroborate CAS Name: (3R,4S)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-2-ium tetrafluoroborate IUPAC Name: (3R,4S)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-2-ium tetrafluoroborate Traditional Name: (3R,4S)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-2-ium tetrafluoroborate Formula: C17H18BF4N MolecularWeight: 323.136133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1C(C2=CC=CC=C2C=[N+]1C)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.C[C@@H]1[C@H](C2=CC=CC=C2C=[N+]1C)C3=CC=CC=C3

InChI

InChI=1S/C17H18N.BF4/c1-13-17(14-8-4-3-5-9-14)16-11-7-6-10-15(16)12-18(13)2;2-1(3,4)5/h3-13,17H,1-2H3;/q+1;-1/t13-,17+;/m1./s1