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A1LXX

Summary
Name:4-[dodecyl(dimethyl)-$l^{4}-azanyl]butanoic acid
Formula:C18 H38 N O2
Formal charge:1
Formula weight:300.5 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7dodecyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18(20)21/h4-17H2,1-3H3/p+1
InChIKeyInChI1.06ZFVNBVQBIZJUEY-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCC[N+](C)(C)CCCC(O)=O
SMILESCACTVS3.385CCCCCCCCCCCC[N+](C)(C)CCCC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCC[N+](C)(C)CCCC(=O)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCC[N+](C)(C)CCCC(=O)O

222926

数据于2024-07-24公开中

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