4-[({[5-(Benzyloxy)-1-(3-Carbamimidoylbenzyl)-1H-Indol-2-Yl]Carbonyl}Amino)Methyl]-N,N,N-Trimethylanilinium

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Properties Simple | Detailed

Formula C34H36N5O2+
IUPAC Name [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-(phenylmethoxy)indole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium
Molecular Mass 546.682 g·mol−1
Heat of Formation 5340.2 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 610.61 Å 3
Surface Area 507.24 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -3.45 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[[[1-(3-amidinobenzyl)-5-(benzyloxy)indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium
  • [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-(phenylmethoxy)2h-indol-1-ium-2-carbonyl]amino]methyl]phenyl]-trimethylazanium
  • [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-(phenylmethoxy)indol-2-yl]carbonylamino]methyl]phenyl]-trimethyl-azanium
  • [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-(phenylmethoxy)indole-2-carbonyl]amino]methyl]phenyl]-trimethyl-ammonium
  • [4-[[[[1-[(3-carbamimidoylphenyl)methyl]-5-(phenylmethoxy)-2-indolyl]-oxomethyl]amino]methyl]phenyl]-trimethylammonium
InChIKey UFKJQTGPBFWMGT-UHFFFAOYSA-O
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