N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium | SBID = 2460 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.65
Charge: 1.0
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: C16H18Br2N+
M / g/mol: 384.12882
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium
  • Preferred Abbreviation: N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1056
  • InChiKey: WTKJOPXSDVZHOR-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H18Br2N/c1-19(2,11-13-3-7-15(17)8-4-13)12-14-5-9-16(18)10-6-14/h3-10H,11-12H2,1-2H3/q+1
  • CanoSmiles: Brc1ccc(cc1)C[N+](Cc1ccc(cc1)Br)(C)C
  • IsoSmiles: C[N+](CC1=CC=C(Br)C=C1)(C)CC2=CC=C(Br)C=C2