PDBj Mine: Chemie - UFZ - (phenylmethyl)azanium (original) (raw)
Summary
| Name: | (phenylmethyl)azanium |
|---|---|
| Formula: | C7 H10 N |
| Formal charge: | 1 |
| Formula weight: | 108.161 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
|---|---|---|
| OpenEye OEToolkits | 2.0.6 | (phenylmethyl)azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
|---|---|---|---|
| InChI | InChI | 1.03 | InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/p+1 |
| InChIKey | InChI | 1.03 | WGQKYBSKWIADBV-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+]Cc1ccccc1 |
| SMILES | CACTVS | 3.385 | [NH3+]Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C[NH3+] |
235183
PDB entries from 2025-04-23
