2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide

Systemtic Name: 2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Openeye Name: 2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide CAS Name: 2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide IUPAC Name: 2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Traditional Name: 2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Formula: C45H44BNO2 MolecularWeight: 641.64736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1(OCC(C(O1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4CC3)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4CC3)C

InChI

InChI=1S/C24H20B.C21H24NO2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-21(2)23-15-19(20(24-21)17-9-4-3-5-10-17)22-13-12-16-8-6-7-11-18(16)14-22/h1-20H;3-11,14,19-20H,12-13,15H2,1-2H3/q-1;+1/t;19-,20-/m.0/s1