NM3
Summary
| Name: | ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium |
| 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 | 3-carboxy-N-ethyl-N,N-dimethylpropan-1-aminium |
| OpenEye OEToolkits | 1.7.6 | ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCC[N+](C)(C)CC |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO2/c1-4-9(2,3)7-5-6-8(10)11/h4-7H2,1-3H3/p+1 |
| InChIKey | InChI | 1.03 | ISMYCKWHOZKHNJ-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[N+](C)(C)CCCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[N+](C)(C)CCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[N+](C)(C)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC[N+](C)(C)CCCC(=O)O |
