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GEP

Summary
Name:N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION
Formula:C19 H29 N2 O3
Formal charge:1
Formula weight:333.445 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(2-{4-[(4-carboxybutanoyl)amino]phenyl}ethyl)-1-methylpiperidinium
OpenEye OEToolkits1.5.05-[[4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]phenyl]amino]-5-oxo-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CCCC(=O)Nc1ccc(cc1)CC[N+]2(CCCCC2)C
SMILES_CANONICALCACTVS3.341C[N+]1(CCCCC1)CCc2ccc(NC(=O)CCCC(O)=O)cc2
SMILESCACTVS3.341C[N+]1(CCCCC1)CCc2ccc(NC(=O)CCCC(O)=O)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O
SMILESOpenEye OEToolkits1.5.0C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O
InChIInChI1.03InChI=1S/C19H28N2O3/c1-21(13-3-2-4-14-21)15-12-16-8-10-17(11-9-16)20-18(22)6-5-7-19(23)24/h8-11H,2-7,12-15H2,1H3,(H-,20,22,23,24)/p+1
InChIKeyInChI1.03OKJUVEGXNINONS-UHFFFAOYSA-O

218853

PDB entries from 2024-04-24

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