2-[(2S,3S)-2-phenylpiperidin-3-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide

Systemtic Name: 2-[(2S,3S)-2-phenylpiperidin-3-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Openeye Name: 2-[(2S,3S)-2-phenyl-3-piperidyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide CAS Name: 2-[(2S,3S)-2-phenyl-3-piperidinyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide IUPAC Name: 2-[(2S,3S)-2-phenylpiperidin-3-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Traditional Name: 2-[(2S,3S)-2-phenyl-3-piperidyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Formula: C44H43BN2 MolecularWeight: 610.63662

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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.C1CC(C(NC1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4CC3

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1C[C@@H]([C@@H](NC1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4CC3

InChI

InChI=1S/C24H20B.C20H23N2/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;1-2-8-17(9-3-1)20-19(11-6-13-21-20)22-14-12-16-7-4-5-10-18(16)15-22/h1-20H;1-5,7-10,15,19-21H,6,11-14H2/q-1;+1/t;19-,20-/m.0/s1