1-(2-{4-[(4-Carboxybutanoyl)Amino]Phenyl}Ethyl)-1-Methylpiperidinium

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Properties Simple | Detailed

Formula C19H29N2O3+
IUPAC Name 5-[[4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]phenyl]amino]-5-oxopentanoic acid
Molecular Mass 333.445 g·mol−1
Heat of Formation 2467.6 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 379.0 Å 3
Surface Area 341.61 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -2.34 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[4-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]phenyl]amino]-5-oxopentanoic acid
  • 5-[[4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]phenyl]amino]-5-oxo-pentanoic acid
  • 5-keto-5-[[4-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]phenyl]amino]valeric acid
  • gep
  • n-methyl-n-(para-glutaramidophenyl-ethyl)-piperidinium ion
InChIKey OKJUVEGXNINONS-UHFFFAOYSA-O
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