Molecule ID: 70678951

IUPAC Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile;hydron

Description: The molecule is an organic cation resulting from the addition of a proton to rilpivirine. It is a conjugate acid of a rilpivirine.

SMILES: Cc1cc(/C=C/C#[NH+])cc(C)c1N=c1ccnc(Nc2ccc(C#N)cc2)[nH]1

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

InChI: InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/p+1/b4-3+

Molecular Properties:
- Polar Surface Area: 97.4 Ų
- LogP: nan