(9S)-9-Hydroxy-1-methylcinchonan-1-ium iodide

ChemSpider ID: 19965570
Molecular Formula: C₂₀H₂₅IN₂O
Average mass: 436.329987 Da
Monoisotopic mass: 436.101013 Da
Systematic name

(S)-[(1S,2R,4S,5R)-1-methyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol iodide
SMILES and InChIs

SMILES:

[I-].C[N@+]43CC[C@@H](C[C@@H]3[C@@H](O)c1ccnc2ccccc12)[C@@H](C=C)C4 Copied

Std. InChI:

InChI=1S/C20H25N2O.HI/c1-3-14-13-22(2)11-9-15(14)12-19(22)20(23)17-8-10-21-18-7-5-4-6-16(17)18;/h3-8,10,14-15,19-20,23H,1,9,11-13H2,2H3;1H/q+1;/p-1/t14-,15-,19+,20-,22-;/m0./s1 Copied

Std. InChIKey:

ZGQDJVPJNYXGNV-RHVLLIJISA-M Copied
Cite this record
CSID:19965570, http://www.chemspider.com/Chemical-Structure.19965570.html (accessed 11:32, May 22, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.