Molecule ID: 24848235

IUPAC Name: 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylprop-1-enyl]pyridine

Description: The molecule is an ammonium ion resulting from the protonation of the pyrrolidine nitrogen of tripoloidine. It is the major species at pH 7.3. It has a role as a H1-receptor antagonist. It is a conjugate acid of a triprolidine.

SMILES: Cc1ccc(/C(=C\CN2CCCC2)c2cccc[nH+]2)cc1

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][Branch1][/C][=Branch1][#Branch2][=C][\C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=NH1+1][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/p+1/b18-11+

Molecular Properties:
- Polar Surface Area: 17.3 Ų
- LogP: 3.9