MZT
Summary
| Name: | 4-(Trimethylammonio)pentanoic acid |
| Formula: | C8 H18 N O2 |
| Formal charge: | 1 |
| Formula weight: | 160.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-4-carboxy-N,N,N-trimethylbutan-2-aminium |
| OpenEye OEToolkits | 1.9.2 | trimethyl-[(2R)-5-oxidanyl-5-oxidanylidene-pentan-2-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCC([N+](C)(C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO2/c1-7(9(2,3)4)5-6-8(10)11/h7H,5-6H2,1-4H3/p+1/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | RXHVPPWXTMHWGY-SSDOTTSWSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CCC(O)=O)[N+](C)(C)C |
| SMILES | CACTVS | 3.385 | C[CH](CCC(O)=O)[N+](C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H](CCC(=O)O)[N+](C)(C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(CCC(=O)O)[N+](C)(C)C |
