
 Carbamylcholine

 25 24  0  0  0  0  0  0  0  0999 V2000
    0.9768   -0.0487   -0.0168 C   0  0  0  0  0
    2.5029   -0.1898   -0.0041 N   0  0  0  0  0
    2.9065   -0.9477    1.2510 C   0  0  0  0  0
    2.9106   -0.9880   -1.2374 C   0  0  0  0  0
    3.0997    1.2453   -0.0296 C   0  0  0  0  0
    4.6355    1.3247    0.0660 C   0  0  0  0  0
    5.3232    0.7506   -1.0560 O   0  0  0  0  0
    5.2474    1.4740   -2.1977 C   0  0  0  0  0
    4.5706    2.4761   -2.3485 O   0  0  0  0  0
    5.9972    0.9063   -3.1633 N   0  0  0  0  0
    0.6866    0.4858   -0.9263 H   0  0  0  0  0
    0.6744    0.5111    0.8732 H   0  0  0  0  0
    0.5340   -1.0492   -0.0041 H   0  0  0  0  0
    2.6489   -0.3379    2.1216 H   0  0  0  0  0
    3.9812   -1.1435    1.2183 H   0  0  0  0  0
    2.3608   -1.8960    1.2728 H   0  0  0  0  0
    2.7140   -0.3820   -2.1261 H   0  0  0  0  0
    2.3149   -1.9058   -1.2652 H   0  0  0  0  0
    3.9673   -1.2515   -1.1606 H   0  0  0  0  0
    2.6633    1.7705    0.8283 H   0  0  0  0  0
    2.7226    1.7097   -0.9457 H   0  0  0  0  0
    4.9981    0.8161    0.9640 H   0  0  0  0  0
    4.9422    2.3731    0.1745 H   0  0  0  0  0
    6.6651    0.1867   -2.9270 H   0  0  0  0  0
    6.1244    1.4161   -4.0284 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  3 16  1  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
M  CHG  1   2   1
M  END

>  <Chemical Name>
Carbamylcholine

>  <PubChem CID>
2551

>  <Formula>
C6H15N2O2+

>  <Molecular Weight>
147.198000

>  <IUPAC Name>
2-carbamoyloxyethyl(trimethyl)azanium

>  <XlogP>
-0.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C[N+](C)(C)CCOC(=O)N

>  <Isomeric SMILES>
C[N+](C)(C)CCOC(=O)N

>  <InChI Std. ID>
InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1

>  <InChI Key>
VPJXQGSRWJZDOB-UHFFFAOYSA-O

