N-(3,5-dimethylbenzyl)-1-(3,5-dimethylphenyl)-N,N-dimethylmethanaminium | SBID = 2476 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.73
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: C20H28N+
M / g/mol: 282.44302
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N-(3,5-dimethylbenzyl)-1-(3,5-dimethylphenyl)-N,N-dimethylmethanaminium
  • Preferred Abbreviation: N-(3,5-dimethylbenzyl)-1-(3,5-dimethylphenyl)-N,N-dimethylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1069
  • InChiKey: VHBOUBJOTJCFCP-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H28N/c1-15-7-16(2)10-19(9-15)13-21(5,6)14-20-11-17(3)8-18(4)12-20/h7-12H,13-14H2,1-6H3/q+1
  • CanoSmiles: Cc1cc(cc(c1)C)C[N+](Cc1cc(C)cc(c1)C)(C)C
  • IsoSmiles: C[N+](CC1=CC(C)=CC(C)=C1)(C)CC2=CC(C)=CC(C)=C2