2-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide

Systemtic Name: 2-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Openeye Name: 2-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide CAS Name: 2-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide IUPAC Name: 2-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Traditional Name: 2-[(1S)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Formula: C41H38BN MolecularWeight: 555.55812

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(C1=CC=CC=C1)[N+]2=CC3=CC=CC=C3CC2

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[C@@H](C1=CC=CC=C1)[N+]2=CC3=CC=CC=C3CC2

InChI

InChI=1S/C24H20B.C17H18N/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;1-14(15-7-3-2-4-8-15)18-12-11-16-9-5-6-10-17(16)13-18/h1-20H;2-10,13-14H,11-12H2,1H3/q-1;+1/t;14-/m.0/s1