1-[(7-Carbamimidoyl-2-Naphthyl)Methyl]-6-[(1-Ethanimidoyl-4-Piperidinyl)Oxy]-2-Methyl-1H-Benzimidazol-1-Ium

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Properties Simple | Detailed

Formula C27H31N6O+
IUPAC Name 7-[[6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-3h-benzimidazol-1-ium-1-yl]methyl]naphthalene-2-carboxamidine
Molecular Mass 455.575 g·mol−1
Heat of Formation 4043.8 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 509.63 Å 3
Surface Area 449.39 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-2-methyl-3h-benzimidazol-1-ium-1-yl]methyl]naphthalene-2-carboxamidine
  • 7-[[6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-3h-benzimidazol-1-ium-1-yl]methyl]naphthalene-2-carboxamidine
  • 7-[[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-3h-benzimidazol-1-ium-1-yl]methyl]-2-naphthalenecarboxamidine
  • 7-[[6-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-2-methyl-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamid
  • zk-806711
InChIKey JABMRQOJSAZJAD-UHFFFAOYSA-O
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