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

Systemtic Name: 2-[(1S,2S)-2-phenylmethoxycyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Openeye Name: 2-[(1S,2S)-2-benzyloxycyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide CAS Name: 2-[(1S,2S)-2-phenylmethoxycyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide IUPAC Name: 2-[(1S,2S)-2-phenylmethoxycyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Traditional Name: 2-[(1S,2S)-2-benzoxycyclohexyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Formula: C46H46BNO MolecularWeight: 639.67454

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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.C1CCC(C(C1)[N+]2=CC3=CC=CC=C3CC2)OCC4=CC=CC=C4

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1CC[C@@H]([C@H](C1)[N+]2=CC3=CC=CC=C3CC2)OCC4=CC=CC=C4

InChI

InChI=1S/C24H20B.C22H26NO/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;1-2-8-18(9-3-1)17-24-22-13-7-6-12-21(22)23-15-14-19-10-4-5-11-20(19)16-23/h1-20H;1-5,8-11,16,21-22H,6-7,12-15,17H2/q-1;+1/t;21-,22-/m.0/s1