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A1EO7

Summary
Name:(2~{E})-1-ethyl-2-[(~{E})-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline
Formula:C25 H25 N2
Formal charge:1
Formula weight:353.479 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{E})-1-ethyl-2-[(~{E})-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C25H25N2/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2/h5-19H,3-4H2,1-2H3/q+1
InChIKeyInChI1.06HQCBCYUEDZNVBO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1/C(=C/C=C/c2ccc3ccccc3[n+]2CC)C=Cc4ccccc14
SMILESCACTVS3.385CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc4ccccc14
SMILES_CANONICALOpenEye OEToolkits2.0.7CC[n+]1c(ccc2c1cccc2)/C=C/C=C/3\C=Cc4ccccc4N3CC
SMILESOpenEye OEToolkits2.0.7CC[n+]1c(ccc2c1cccc2)C=CC=C3C=Cc4ccccc4N3CC

255239

PDB entries from 2026-06-17

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