CCE

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Summary

Name:2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM
Synonyms:CARBAMYL-CHOLINE
Formula:C6 H15 N2 O2
Formal charge:1
Molecular weight:147.195 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(carbamoyloxy)-N,N,N-trimethylethanaminium
OpenEye OEToolkits1.5.02-aminocarbonyloxyethyl-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC[N+](C)(C)C)N
SMILES_CANONICALCACTVS3.341C[N+](C)(C)CCOC(N)=O
SMILESCACTVS3.341C[N+](C)(C)CCOC(N)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[N+](C)(C)CCOC(=O)N
SMILESOpenEye OEToolkits1.5.0C[N+](C)(C)CCOC(=O)N
InChIInChI1.03InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
InChIKeyInChI1.03VPJXQGSRWJZDOB-UHFFFAOYSA-O
167518
PDB entries from 2020-08-12