Molecule ID: 25271810

IUPAC Name: ethyl 1-methyl-4-phenylpiperidin-1-ium-4-carboxylate

Description: The molecule is an ammonium ion derivative that is the conjugate acid of pethidine, obtained from the protonation of the piperidine moiety. It is the major microspecies at pH 7.3. It is a conjugate acid of a pethidine.

SMILES: CCOC(=O)C1(c2ccccc2)CC[NH+](C)CC1

SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][NH1+1][Branch1][C][C][C][C][Ring1][=N]

InChI: InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3/p+1

Molecular Properties:
- Polar Surface Area: 30.7 Ų
- LogP: 2.5