10855382
  -OEChem-05112414092D

 11  9  0     0  0  0  0  0  0999 V2000
    1.1530    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    4.3100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5369    4.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    3.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    4.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
10855382

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
30.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYADAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAQAAAAAAAAAAABAABAAAAgAAAAIAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
carbamimidoylammonium;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
carbamimidoylammonium;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
carbamimidoylazanium;chloride

> <PUBCHEM_IUPAC_NAME>
carbamimidoylazanium;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
carbamimidoylazanium;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
amidinoammonium;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H

> <PUBCHEM_IUPAC_INCHIKEY>
PJJJBBJSCAKJQF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
95.0250249

> <PUBCHEM_MOLECULAR_FORMULA>
CH6ClN3

> <PUBCHEM_MOLECULAR_WEIGHT>
95.53

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=N)([NH3+])N.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=N)([NH3+])N.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
77.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
95.0250249

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$