N-Methyl codeine | SBID = 656 | 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: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C19H24NO3+
M / g/mol: 314.18
Complexity:
Number of Conformers:

Identifiers

  • Tags: cation, drug
  • Name: N-Methyl codeine
  • Preferred Abbreviation: N-Methyl codeine
  • IUPAC Name:
  • CAS:
  • CID: -170
  • InChiKey: MLIBORQWQWVNCO-LEPYJNQMSA-N
  • InChi: InChI=1S/C19H24NO3/c1-20(2)9-8-19-12-5-6-14(21)18(19)23-17-15(22-3)7-4-11(16(17)19)10-13(12)20/h4-7,12-14,18,21H,8-10H2,1-3H3/q+1/t12-,13+,14-,18-,19-/m0/s1
  • CanoSmiles: COC1=C2O[C@@H]3[C@]45C2=C(C=C1)C[C@@H]([N+](CC5)(C)C)[C@]4([H])C=C[C@@H]3O
  • IsoSmiles: COC1=C2O[C@@H]3[C@]45C2=C(C=C1)C[C@@H]([N+](CC5)(C)C)[C@]4([H])C=C[C@@H]3O