N-methyl-N-(4-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)cyclohexa-2,5-dien-1-ylidene)methanaminium | SBID = 866 | 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: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C16H19N2+
M / g/mol: 239.33546
Complexity:
Number of Conformers:

Identifiers

  • Tags: dye, charged
  • Name: N-methyl-N-(4-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)cyclohexa-2,5-dien-1-ylidene)methanaminium
  • Preferred Abbreviation: N-methyl-N-(4-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)cyclohexa-2,5-dien-1-ylidene)methanaminium
  • IUPAC Name:
  • CAS:
  • CID: -260
  • InChiKey: WVKVDDALQQZUGC-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H19N2/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15/h4-13H,1-3H3/q+1
  • CanoSmiles: CN1C=CC(=CC=C2C=CC(=[N+](C)C)C=C2)C=C1
  • IsoSmiles: CN1C=CC(=CC=C2C=CC(=[N+](C)C)C=C2)C=C1