quifenadine
  CDK     0223171731
null
 23 26  0  0  0  0  0  0  0  0999 V2000
   -3.0938    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8082    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8082   -0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793   -0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2482    1.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0814    1.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5379    0.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5378   -0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2872   -0.5672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2871    0.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5337   -0.4360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4149    2.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6284    1.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451    0.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347    1.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6180    2.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4273   -0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    0.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  6  2  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  8  7  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
 11 15  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
  8 16  1  0  0  0  0 
 19  9  1  0  0  0  0 
  9 20  2  0  0  0  0 
 17 18  1  0  0  0  0 
 17 21  2  0  0  0  0 
 18 19  2  0  0  0  0 
 20 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 11 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:134746

> <NAME>
quifenadine

> <STAR>
2

> <SYNONYM>
quifenadine hydrochloride; quifenadine HCl; phencarol

> <FORMULA>
C20H23NO

> <MASS>
293.403

> <MONOISOTOPIC_MASS>
293.17796

> <CHARGE>
0

> <SMILES>
C=1C=CC=CC1C(C2(C3CCN(C2)CC3)[H])(C=4C=CC=CC4)O

> <INCHI>
InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19,22H,11-15H2

> <INCHIKEY>
PZMAHNDJABQWGS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
10447-39-9

$$$$