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GQG

Summary
Name:N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
Formula:C20 H21 N2
Formal charge:1
Formula weight:289.394 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(biphenyl-4-ylmethyl)-4-(dimethylamino)pyridinium
OpenEye OEToolkits1.9.2N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(c1cc[n+](cc1)Cc3ccc(c2ccccc2)cc3)(C)C
InChIInChI1.03InChI=1S/C20H21N2/c1-21(2)20-12-14-22(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/q+1
InChIKeyInChI1.03IPMPOJHIUNHPOG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1cc[n+](Cc2ccc(cc2)c3ccccc3)cc1
SMILESCACTVS3.385CN(C)c1cc[n+](Cc2ccc(cc2)c3ccccc3)cc1
SMILES_CANONICALOpenEye OEToolkits1.9.2CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3
SMILESOpenEye OEToolkits1.9.2CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3

246704

PDB entries from 2025-12-24

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