OZ3
Summary
| Name: | 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine |
| Formula: | C9 H12 N3 |
| Formal charge: | 1 |
| Formula weight: | 162.212 Da |
| Component type: | L-peptide COOH carboxy terminus |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11N3/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,4-5,10H2,(H2,11,12)/p+1 |
| InChIKey | InChI | 1.06 | WGTMTZNANKWNAF-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc2C(=[NH+]Cc2c1)N |
| SMILES | CACTVS | 3.385 | NCc1ccc2C(=[NH+]Cc2c1)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1CN)C[NH+]=C2N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1CN)C[NH+]=C2N |
