(1S,2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methoxy-1-phenyl-propan-1-ol; tetraphenylboranuide

Systemtic Name: (1S,2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methoxy-1-phenyl-propan-1-ol; tetraphenylboranuide Openeye Name: (1S,2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methoxy-1-phenyl-propan-1-ol; tetraphenylboranuide CAS Name: (1S,2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methoxy-1-phenyl-1-propanol; tetraphenylboranuide IUPAC Name: (1S,2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methoxy-1-phenylpropan-1-ol; tetraphenylboranuide Traditional Name: (1S,2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methoxy-1-phenyl-propan-1-ol; tetraphenylboranuide Formula: C43H42BNO2 MolecularWeight: 615.61008

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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.COCC(C(C1=CC=CC=C1)O)[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]([C@H](C1=CC=CC=C1)O)[N+]2=CC3=CC=CC=C3CC2

InChI

InChI=1S/C24H20B.C19H22NO2/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;1-22-14-18(19(21)16-8-3-2-4-9-16)20-12-11-15-7-5-6-10-17(15)13-20/h1-20H;2-10,13,18-19,21H,11-12,14H2,1H3/q-1;+1/t;18-,19-/m.0/s1