Molecule ID: 36690813

IUPAC Name: dimethyl-[3-[2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropyl]azanium

Description: The molecule is an ammonium ion derivative that is the conjugate acid of cinanserin, obtained by the protonation of the tertiary amino group. It is the major microspecies at pH 7.3. It is a conjugate acid of a cinanserin.

SMILES: CN(C)CCCSc1ccccc1[NH+]=C(O)/C=C/c1ccccc1

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

InChI: InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/p+1/b14-13+

Molecular Properties:
- Polar Surface Area: 58.8 Ų
- LogP: 4.1