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20092-35-7 | 2H-Quinolizin-2-ol, octahydro-2-phenyl-, propanoate (ester), hydrochloride, trans- (9CI)
CAS No: 20092-35-7 Catalog No: AG002D2W MDL No:
Product Description
Catalog Number:
AG002D2W
Chemical Name:
2H-Quinolizin-2-ol, octahydro-2-phenyl-, propanoate (ester), hydrochloride, trans- (9CI)
CAS Number:
20092-35-7
Molecular Formula:
C18H26ClNO2
Molecular Weight:
323.8575
IUPAC Name:
[(2R,9aR)-2-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl] propanoate;hydrochloride
InChI:
InChI=1S/C18H25NO2.ClH/c1-2-17(20)21-18(15-8-4-3-5-9-15)11-13-19-12-7-6-10-16(19)14-18;/h3-5,8-9,16H,2,6-7,10-14H2,1H3;1H/t16-,18-;/m1./s1
InChI Key:
GNYFGQNTMNZBME-PHJLCXHGSA-N
SMILES:
CCC(=O)O[C@@]1(CCN2[C@@H](C1)CCCC2)c1ccccc1.Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
323.165g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.861g/mol
Monoisotopic Mass:
323.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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