N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-dimethylmethanaminium | SBID = 2462 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 47.58
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.71
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: C18H18N3+
M / g/mol: 276.35562
Complexity:
Number of Conformers:

Identifiers

  • Tags: guest
  • Name: N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-dimethylmethanaminium
  • Preferred Abbreviation: N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-dimethylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1058
  • InChiKey: RVVPVVYOXOIPLF-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H18N3/c1-21(2,13-17-7-3-15(11-19)4-8-17)14-18-9-5-16(12-20)6-10-18/h3-10H,13-14H2,1-2H3/q+1
  • CanoSmiles: N#Cc1ccc(cc1)C[N+](Cc1ccc(cc1)C#N)(C)C
  • IsoSmiles: C[N+](CC1=CC=C(C#N)C=C1)(C)CC2=CC=C(C#N)C=C2