(1S,2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-1,2-diphenyl-ethanol; tetraphenylboranuide

Systemtic Name: (1S,2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-1,2-diphenyl-ethanol; tetraphenylboranuide Openeye Name: (1S,2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-1,2-diphenyl-ethanol; tetraphenylboranuide CAS Name: (1S,2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-1,2-diphenylethanol; tetraphenylboranuide IUPAC Name: (1S,2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-1,2-diphenylethanol; tetraphenylboranuide Traditional Name: (1S,2R)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-1,2-diphenyl-ethanol; tetraphenylboranuide Formula: C47H42BNO MolecularWeight: 647.65348

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1C[N+](=CC2=CC=CC=C21)C(C3=CC=CC=C3)C(C4=CC=CC=C4)O

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1C[N+](=CC2=CC=CC=C21)[C@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C24H20B.C23H22NO/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;25-23(20-12-5-2-6-13-20)22(19-10-3-1-4-11-19)24-16-15-18-9-7-8-14-21(18)17-24/h1-20H;1-14,17,22-23,25H,15-16H2/q-1;+1/t;22-,23+/m.1/s1