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A1EUE

Summary
Name:~{N},~{N}-dimethyl-6-[(~{E})-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]naphthalen-2-amine
Formula:C25 H27 N2
Formal charge:1
Formula weight:355.495 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N},~{N}-dimethyl-6-[(~{E})-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]naphthalen-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C25H27N2/c1-25(2)22-8-6-7-9-23(22)27(5)24(25)15-11-18-10-12-20-17-21(26(3)4)14-13-19(20)16-18/h6-17H,1-5H3/q+1
InChIKeyInChI1.06FSLJFTJKQGKJNZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1ccc2cc(ccc2c1)\C=C\C3=[N+](C)c4ccccc4C3(C)C
SMILESCACTVS3.385CN(C)c1ccc2cc(ccc2c1)C=CC3=[N+](C)c4ccccc4C3(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1(c2ccccc2[N+](=C1/C=C/c3ccc4cc(ccc4c3)N(C)C)C)C
SMILESOpenEye OEToolkits2.0.7CC1(c2ccccc2[N+](=C1C=Cc3ccc4cc(ccc4c3)N(C)C)C)C

257179

PDB entries from 2026-07-29

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