N-(3-methoxybenzyl)-1-(3-methoxyphenyl)-N,N-dimethylmethanaminium | SBID = 2475 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 18.46
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -1.4
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: C18H24NO2+
M / g/mol: 286.38866
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N-(3-methoxybenzyl)-1-(3-methoxyphenyl)-N,N-dimethylmethanaminium
  • Preferred Abbreviation: N-(3-methoxybenzyl)-1-(3-methoxyphenyl)-N,N-dimethylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1068
  • InChiKey: LCQMJKKJBSAPCE-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H24NO2/c1-19(2,13-15-7-5-9-17(11-15)20-3)14-16-8-6-10-18(12-16)21-4/h5-12H,13-14H2,1-4H3/q+1
  • CanoSmiles: COc1cccc(c1)C[N+](Cc1cccc(c1)OC)(C)C
  • IsoSmiles: C[N+](CC1=CC=CC(OC)=C1)(C)CC2=CC(OC)=CC=C2