
 (2-Chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

 39 40  0  0  0  0  0  0  0  0999 V2000
    3.2104   -0.0383   -1.2419 C   0  0  0  0  0
    2.6938    0.1145    0.1765 C   0  0  0  0  0
    3.1483    1.4108    0.8170 N   0  0  0  0  0
    2.7871    2.1807    0.2395 H   0  0  0  0  0
    2.5461    1.6192    2.2007 C   0  0  0  0  0
    1.0461    1.7657    2.2154 C   0  0  0  0  0
    0.2520    0.6321    2.4740 C   0  0  0  0  0
   -1.1402    0.7197    2.4830 C   0  0  0  0  0
   -1.7618    1.9436    2.2553 C   0  0  0  0  0
   -0.9924    3.0792    2.0045 C   0  0  0  0  0
    0.4020    2.9892    1.9726 C   0  0  0  0  0
    1.2998    4.4169    1.6053 Cl  0  0  0  0  0
    4.6867    1.6003    0.8563 C   0  0  0  0  0
    5.4576    0.5178    1.6400 C   0  0  0  0  0
    4.8619   -0.3513    2.2807 O   0  0  0  0  0
    6.8357    0.5641    1.5947 N   0  0  0  0  0
    7.6665   -0.4475    2.2223 C   0  0  0  0  0
    9.0879    0.0682    2.0543 C   0  0  0  0  0
    8.9582    1.1314    1.0966 N   0  0  0  0  0
    7.6377    1.4857    0.9114 C   0  0  0  0  0
    7.2417    2.4475    0.2759 O   0  0  0  0  0
    2.7857   -0.9432   -1.6902 H   0  0  0  0  0
    4.2979   -0.1455   -1.2771 H   0  0  0  0  0
    2.9184    0.8132   -1.8640 H   0  0  0  0  0
    3.0001   -0.7219    0.8093 H   0  0  0  0  0
    1.6018    0.1405    0.1357 H   0  0  0  0  0
    3.0198    2.5084    2.6323 H   0  0  0  0  0
    2.8411    0.7738    2.8291 H   0  0  0  0  0
    0.7094   -0.3372    2.6713 H   0  0  0  0  0
   -1.7429   -0.1663    2.6765 H   0  0  0  0  0
   -2.8480    2.0139    2.2764 H   0  0  0  0  0
   -1.4925    4.0311    1.8347 H   0  0  0  0  0
    4.8593    2.5811    1.3109 H   0  0  0  0  0
    5.0069    1.6253   -0.1874 H   0  0  0  0  0
    7.5129   -1.3929    1.6898 H   0  0  0  0  0
    7.3834   -0.5898    3.2701 H   0  0  0  0  0
    9.4748    0.4929    2.9857 H   0  0  0  0  0
    9.7792   -0.6928    1.6843 H   0  0  0  0  0
    9.7116    1.7285    0.7750 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3 13  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 20  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
M  CHG  1   3   1
M  END

>  <Chemical Name>
(2-Chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

>  <PubChem CID>
53350257

>  <Formula>
C14H19ClN3O2+

>  <Molecular Weight>
296.775000

>  <IUPAC Name>
(2-chlorophenyl)methyl-ethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC[NH+](CC1=CC=CC=C1Cl)CC(=O)N2CCNC2=O

>  <Isomeric SMILES>
CC[NH+](CC1=CC=CC=C1Cl)CC(=O)N2CCNC2=O

>  <InChI Std. ID>
InChI=1S/C14H18ClN3O2/c1-2-17(9-11-5-3-4-6-12(11)15)10-13(19)18-8-7-16-14(18)20/h3-6H,2,7-10H2,1H3,(H,16,20)/p+1

>  <InChI Key>
ACOFECRFLRZCGE-UHFFFAOYSA-O

