Synonyms
(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol hydrochloride
IUPAC Name
(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride;
Molecular Weight
362.9
Molecular Formula
C20H27ClN2O2;
Canonical SMILES
CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O.Cl;
InChI
InChI=1S/C20H26N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H/t13-,14-,19+,20-;/m0./s1
InChI Key
MULXTQKDWYBJMO-VJAUXQICSA-N
Melting Point
277-279 °C
Purity
98%+
Complexity
432
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
4
EC Number
216-024-1
Exact Mass
362.1761058
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
25
Isomeric SMILES
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O.Cl
Monoisotopic Mass
362.1761058
Physical State
Solid
Rotatable Bond Count
4
Topological Polar Surface Area
45.6
UNII
6BR4G8VAHM
