2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide

Systemtic Name: 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Openeye Name: 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide CAS Name: 2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide IUPAC Name: 2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Traditional Name: 2-[(2R)-2-(methoxymethyl)pyrrolidino]-3,4-dihydroisoquinolin-2-ium; tetraphenylboranuide Formula: C39H41BN2O MolecularWeight: 564.56664

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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.COCC1CCCN1[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.COC[C@H]1CCCN1[N+]2=CC3=CC=CC=C3CC2

InChI

InChI=1S/C24H20B.C15H21N2O/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;1-18-12-15-7-4-9-17(15)16-10-8-13-5-2-3-6-14(13)11-16/h1-20H;2-3,5-6,11,15H,4,7-10,12H2,1H3/q-1;+1/t;15-/m.1/s1