TPM
Summary
| Name: | 2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM |
| Formula: | C12 H18 N3 |
| Formal charge: | 1 |
| Formula weight: | 204.291 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium |
| OpenEye OEToolkits | 1.5.0 | N-[(4-aminophenyl)methyl]-3,4,5,6-tetrahydropyridin-1-ium-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | c1(ccc(N)cc1)CNC2=[NH+]CCCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc(CNC2=[NH+]CCCC2)cc1 |
| SMILES | CACTVS | 3.341 | Nc1ccc(CNC2=[NH+]CCCC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CNC2=[NH+]CCCC2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CNC2=[NH+]CCCC2)N |
| InChI | InChI | 1.03 | InChI=1S/C12H17N3/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9,13H2,(H,14,15)/p+1 |
| InChIKey | InChI | 1.03 | FWTCHDHYLQERRE-UHFFFAOYSA-O |
