HVQ
Summary
Name: | thiophen-3-ylmethylazanium |
Formula: | C5 H8 N S |
Formal charge: | 1 |
Formula weight: | 114.189 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | thiophen-3-ylmethylazanium |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2/p+1 |
InChIKey | InChI | 1.03 | DUDAKCCDHRNMDJ-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | [NH3+]Cc1cscc1 |
SMILES | CACTVS | 3.385 | [NH3+]Cc1cscc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cscc1C[NH3+] |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cscc1C[NH3+] |