Ketcher 11092313462D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
   -0.8932    8.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9107    7.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8504    8.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4243    7.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    6.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347    6.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8343    7.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    6.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    7.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552    6.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  1  3  1  0     0  0
  5  2  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  2  6  1  0     0  0
M  CHG  2   2   1  10   1
M  END
> <ID>
CHEBI:228188

> <NAME>
N-(4-ammoniobutylpyrrolinium) ion(2+)

> <DEFINITION>
Major species at pH 7.3

> <STAR>
2

> <SYNONYM>
N-(4-aminobutylpyrrolinium) ion

> <FORMULA>
C8H18N2

> <MASS>
142.245

> <MONOISOTOPIC_MASS>
142.14590

> <CHARGE>
2

> <SMILES>
C1=[N+](CCC1)CCCC[NH3+]

> <INCHI>
InChI=1S/C8H17N2/c9-5-1-2-6-10-7-3-4-8-10/h7H,1-6,8-9H2/q+1/p+1

> <INCHIKEY>
PSISLYNHYRYJFB-UHFFFAOYSA-O

> <METACYC_ACCESSION>
CPD-26260

> <PUBMED_CITATION>
35212762

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