C6W

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Summary

Name:3-Cyclohexyl-1-Propylphosphocholine
Formula:C14 H24 N O4 P
Formal charge:0
Molecular weight:301.318 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-phenylpropyl 2-(trimethylammonio)ethyl phosphate
OpenEye OEToolkits1.9.23-phenylpropyl 2-(trimethylazaniumyl)ethyl phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-]P(=O)(OCC[N+](C)(C)C)OCCCc1ccccc1
InChIInChI1.03InChI=1S/C14H24NO4P/c1-15(2,3)11-13-19-20(16,17)18-12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3
InChIKeyInChI1.03NFUBQNQOSNBRKK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[N+](C)(C)CCO[P]([O-])(=O)OCCCc1ccccc1
SMILESCACTVS3.385C[N+](C)(C)CCO[P]([O-])(=O)OCCCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.9.2C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1
SMILESOpenEye OEToolkits1.9.2C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1
167327
PDB entries from 2020-08-05