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S8I

Summary
Name:1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium
Formula:C14 H18 N2
Formal charge:2
Formula weight:214.306 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C14H18N2/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14/h5-12H,3-4H2,1-2H3/q+2
InChIKeyInChI1.06QTQLUUDYDWDXNA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[n+]1ccc(cc1)c2cc[n+](CC)cc2
SMILESCACTVS3.385CC[n+]1ccc(cc1)c2cc[n+](CC)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC[n+]1ccc(cc1)c2cc[n+](cc2)CC
SMILESOpenEye OEToolkits2.0.7CC[n+]1ccc(cc1)c2cc[n+](cc2)CC

219869

PDB entries from 2024-05-15

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