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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

ProgramVersionName
ACDLabs10.044,4-dihydroxy-N,N,N-trimethylpentan-1-aminium
OpenEye OEToolkits1.5.04,4-dihydroxypentyl-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(O)(C)CCC[N+](C)(C)C
SMILES_CANONICALCACTVS3.341CC(O)(O)CCC[N+](C)(C)C
SMILESCACTVS3.341CC(O)(O)CCC[N+](C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(CCC[N+](C)(C)C)(O)O
SMILESOpenEye OEToolkits1.5.0CC(CCC[N+](C)(C)C)(O)O
InChIInChI1.03InChI=1S/C8H20NO2/c1-8(10,11)6-5-7-9(2,3)4/h10-11H,5-7H2,1-4H3/q+1
InChIKeyInChI1.03WEYSSHXEYINXQE-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

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