Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

EDR

Summary
Name:EDROPHONIUM ION
Formula:C10 H16 N O
Formal charge:1
Formula weight:166.24 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-ethyl-3-hydroxy-N,N-dimethylanilinium
OpenEye OEToolkits1.5.0ethyl-(3-hydroxyphenyl)-dimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1cccc(c1)[N+](C)(CC)C
SMILES_CANONICALCACTVS3.341CC[N+](C)(C)c1cccc(O)c1
SMILESCACTVS3.341CC[N+](C)(C)c1cccc(O)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC[N+](C)(C)c1cccc(c1)O
SMILESOpenEye OEToolkits1.5.0CC[N+](C)(C)c1cccc(c1)O
InChIInChI1.03InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
InChIKeyInChI1.03VWLHWLSRQJQWRG-UHFFFAOYSA-O

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon