1-tert-butyl-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide

Systemtic Name: 1-tert-butyl-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Openeye Name: 1-tert-butyl-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide CAS Name: 1-tert-butyl-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide IUPAC Name: 1-tert-butyl-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Traditional Name: 1-tert-butyl-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Formula: C37H38BN MolecularWeight: 507.51532

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.CC(C)(C)C1=[NH+]CCC2=CC=CC=C21

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)(C)C1=[NH+]CCC2=CC=CC=C21

InChI

InChI=1S/C24H20B.C13H17N/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;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12/h1-20H;4-7H,8-9H2,1-3H3/q-1;/p+1