KEGG   COMPOUND: C00225Help
Entry
C00225                      Compound                               

Name
Methyl viologen;
Paraquat dichloride;
1,1'-Dimethyl-4,4'-bipyridinium dichloride
Formula
C12H14N2. 2Cl
Exact mass
256.0534
Mol weight
257.159
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 1910-42-5
PubChem: 3525
ChEBI: 28786
ChEMBL: CHEMBL458019
NIKKAJI: J203.515D
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    24.1308  -23.1758
            2   C8y C    25.5109  -23.1642
            3   C8x C    23.4350  -24.4039
            4   C8x C    23.4116  -21.9595
            5   C8x C    26.2244  -24.3746
            6   C8x C    26.2010  -21.9478
            7   C8x C    22.0374  -24.4039
            8   C8x C    22.0140  -21.9829
            9   C8x C    27.6279  -24.3746
            10  C8x C    27.6045  -22.0003
            11  N5y N    21.3298  -23.1875 #+
            12  N5y N    28.3179  -23.1466 #+
            13  C1a C    19.9380  -23.1992
            14  C1a C    29.8440  -23.1991
            15  X   Cl   16.9765  -23.1934 #-
            16  X   Cl   32.3664  -23.1232 #-
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14    8  11 2
            15   10  12 2

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