Molecule ID: 118796889

IUPAC Name: 3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea;hydron

Description: The molecule is an organic cation obtained by protonation of cariprazine. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a cariprazine.

SMILES: CN(C)C(O)=[NH+]C1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1

SELFIES: [C][N][Branch1][C][C][C][Branch1][C][O][=NH1+1][C][C][C][C][Branch2][Ring1][=Branch2][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][C][C][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/p+1

Molecular Properties:
- Polar Surface Area: 38.8 Ų
- LogP: nan