4-(4-(dimethylamino)phenyl)-1-methylpyridinium | SBID = 2725 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 7.12
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -3.02
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: C14H17N2+
M / g/mol: 213.29818
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 4-(4-(dimethylamino)phenyl)-1-methylpyridinium
  • Preferred Abbreviation: APP+
  • IUPAC Name:
  • CAS:
  • CID: -1213
  • InChiKey: STISAGSIGFOUGZ-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H17N2/c1-15(2)14-6-4-12(5-7-14)13-8-10-16(3)11-9-13/h4-11H,1-3H3/q+1
  • CanoSmiles: C[n+]1ccc(cc1)c1ccc(cc1)N(C)C
  • IsoSmiles: C[N+]1=CC=C(C2=CC=C(N(C)C)C=C2)C=C1