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CCD

Summary
Name:(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM
Formula:C8 H20 N O
Formal charge:1
Formula weight:146.25 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4R)-4-hydroxy-N,N,N-trimethylpentan-1-aminium
OpenEye OEToolkits1.5.0[(4R)-4-hydroxypentyl]-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(C)CCC[N+](C)(C)C
SMILES_CANONICALCACTVS3.341C[C@@H](O)CCC[N+](C)(C)C
SMILESCACTVS3.341C[CH](O)CCC[N+](C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](CCC[N+](C)(C)C)O
SMILESOpenEye OEToolkits1.5.0CC(CCC[N+](C)(C)C)O
InChIInChI1.03InChI=1S/C8H20NO/c1-8(10)6-5-7-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1/t8-/m1/s1
InChIKeyInChI1.03HSBSNRZAOXKTSK-MRVPVSSYSA-N

225158

PDB entries from 2024-09-18

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