HVB
1-azanylpropylideneazanium
Created: | 2018-12-19 |
Last modified: | 2019-06-26 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 1 |
Atom Count | 14 |
Chiral Atom Count | 0 |
Bond Count | 13 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | 1-azanylpropylideneazanium |
Systematic Name (OpenEye OEToolkits) | 1-azanylpropylideneazanium |
Formula | C3 H9 N2 |
Molecular Weight | 73.117 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CCC(N)=[NH2+] |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=[NH2+])N |
Canonical SMILES | CACTVS | 3.385 | CCC(N)=[NH2+] |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=[NH2+])N |
InChI | InChI | 1.03 | InChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)/p+1 |
InChIKey | InChI | 1.03 | GNFWGDKKNWGGJY-UHFFFAOYSA-O |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 6346752 |
CCDC/CSD | TUGKEM |
COD | 7216868 |