Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride, (8α,9R)-
CAS Registry Number®
67174-25-8
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CAS Name
Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride, (8α,9R)-Molecular Formula
C27H31N2O2.ClCite this Page
Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride, (8α,9R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=67174-25-8 (retrieved ) (CAS RN: 67174-25-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H31N2O2.ClH/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;1H/q+1;/p-1/t20-,21-,26-,27+,29+;/m0./s1
InChIKey
InChIKey=JYDIJFKNXHPWBJ-GOGFHWEMSA-M
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.[Cl-]
Canonical SMILES
[Cl-].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)-, chloride, (8α,9R)-
- 1-Benzylquininium chloride
- N-Benzylquininium chloride
- Quibec
- (-)-N-Benzylquininium chloride
Deleted or Replaced CAS Registry Numbers
67381-78-6