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suberyl dicholine | SBID = 2085 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C18H38N2O4++
M / g/mol: 346.50532
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: suberyl dicholine
  • Preferred Abbreviation: DiCh
  • IUPAC Name:
  • CAS:
  • CID: -908
  • InChiKey: FUORNAZLBFNKKX-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H38N2O4/c1-19(2,3)13-15-23-17(21)11-9-7-8-10-12-18(22)24-16-14-20(4,5)6/h7-16H2,1-6H3/q+2
  • CanoSmiles: O=C(OCC[N+](C)(C)C)CCCCCCC(=O)OCC[N+](C)(C)C
  • IsoSmiles: C[N+](C)(C)CCOC(CCCCCCC(OCC[N+](C)(C)C)=O)=O