(8α,9S)-9-Hydroxy-6′-methoxy-1-(phenylmethyl)cinchonanium

CAS Registry Number®

1042167-24-7
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CAS Name

(8α,9S)-9-Hydroxy-6′-methoxy-1-(phenylmethyl)cinchonanium

Molecular Formula

C27H31N2O2

Cite this Page

(8α,9S)-9-Hydroxy-6′-methoxy-1-(phenylmethyl)cinchonanium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1042167-24-7 (retrieved 2024-09-10) (CAS RN: 1042167-24-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H31N2O2/c1-3-20-18-29(17-19-7-5-4-6-8-19)14-12-21(20)15-26(29)27(30)23-11-13-28-25-10-9-22(31-2)16-24(23)25/h3-11,13,16,20-21,26-27,30H,1,12,14-15,17-18H2,2H3/q+1/t20-,21-,26-,27-,29+/m0/s1

InChIKey

InChIKey=ZWXVYWVIUDLPJE-JGPNGPNASA-N

SMILES

C([N@@+]12[C@]([C@@H](O)C=3C4=C(C=CC(OC)=C4)N=CC3)(C[C@@]([C@@H](C=C)C1)(CC2)[H])[H])C5=CC=CC=C5

Canonical SMILES

OC(C=1C=CN=C2C=CC(OC)=CC21)C3CC4CC[N+]3(CC=5C=CC=CC5)CC4C=C

Other Names for this Substance

  • Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, (8α,9S)-
  • (8α,9S)-9-Hydroxy-6′-methoxy-1-(phenylmethyl)cinchonanium