NWA
Summary
Name: | 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM |
Formula: | C8 H20 N O2 |
Formal charge: | 1 |
Formula weight: | 162.25 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 4,4-dihydroxy-N,N,N-trimethylpentan-1-aminium |
OpenEye OEToolkits | 1.5.0 | 4,4-dihydroxypentyl-trimethyl-azanium |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC(O)(C)CCC[N+](C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(O)(O)CCC[N+](C)(C)C |
SMILES | CACTVS | 3.341 | CC(O)(O)CCC[N+](C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(CCC[N+](C)(C)C)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCC[N+](C)(C)C)(O)O |
InChI | InChI | 1.03 | InChI=1S/C8H20NO2/c1-8(10,11)6-5-7-9(2,3)4/h10-11H,5-7H2,1-4H3/q+1 |
InChIKey | InChI | 1.03 | WEYSSHXEYINXQE-UHFFFAOYSA-N |