{4-[(E)-(4-Bromophenyl)(Ethoxyimino)Methyl]-4'-Methyl-1,4'-Bipiperidin-1'-Yl}(2,4-Dimethyl-1-Oxido-3-Pyridinyl)Methanone

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Properties Simple | Detailed

Formula C28H43BrN4O3+
IUPAC Name [4-[4-[(e)-c-(4-bromophenyl)-n-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(4,6-dimethyl-1-oxido-3h-pyridine-3,4,5,6-tetraid-5-yl)methanone
Molecular Mass 563.570 g·mol−1
Heat of Formation -130.1 ± 16.7 kJ·mol−1
Dipole Moment 9.04 ± 1.08 D
Volume 633.81 Å 3
Surface Area 468.85 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[4-[(e)-(4-bromophenyl)-ethoxyiminomethyl]-1-piperidinyl]-4-methyl-1-piperidinyl]-(2,4-dimethyl-1-oxido-3-pyridin-1-iumyl)methanone
  • [4-[4-[c-(4-bromophenyl)-n-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methanone
  • [4-[4-[c-(4-bromophenyl)-n-ethoxy-carbonimidoyl]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methanone
  • [4-[4-[c-(4-bromophenyl)-n-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
InChIKey ZGDKVKUWTCGYOA-BXVZCJGGSA-N
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Elements H C Br O N