Tropicamide (protonated) | SBID = 444 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C17H21N2O2+
M / g/mol: 285.37
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, aromatic, charged, cation, drug
  • Name: Tropicamide (protonated)
  • Preferred Abbreviation: Tropicamide (protonated)
  • IUPAC Name: 3-hydroxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide
  • CAS:
  • CID: -89
  • InChiKey: BGDKAVGWHJFAGW-UHFFFAOYSA-O
  • InChi: InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3/p+1
  • CanoSmiles: CCN(C(C(C1=CC=CC=C1)CO)=O)CC2=CC=[NH+]C=C2
  • IsoSmiles: CCN(C(C(C1=CC=CC=C1)CO)=O)CC2=CC=[NH+]C=C2