RTK
trimethyl(3-oxidanylphosphonoylpropyl)azanium
Created: | 2013-03-27 |
Last modified: | 2014-09-05 |
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Chemical Details | |
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Formal Charge | 1 |
Atom Count | 27 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | trimethyl(3-oxidanylphosphonoylpropyl)azanium |
Systematic Name (OpenEye OEToolkits) | trimethyl(3-oxidanylphosphonoylpropyl)azanium |
Formula | C6 H17 N O2 P |
Molecular Weight | 166.178 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)CCC[N+](C)(C)C |
SMILES | CACTVS | 3.385 | C[N+](C)(C)CCC[PH](O)=O |
SMILES | OpenEye OEToolkits | 1.9.2 | C[N+](C)(C)CCCP(=O)O |
Canonical SMILES | CACTVS | 3.385 | C[N+](C)(C)CCC[PH](O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | C[N+](C)(C)CCCP(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H16NO2P/c1-7(2,3)5-4-6-10(8)9/h10H,4-6H2,1-3H3/p+1 |
InChIKey | InChI | 1.03 | WOSBPQBJRYGKCZ-UHFFFAOYSA-O |