Molecule ID: 1548941

IUPAC Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

Description: The molecule is an ammonium ion resulting from the addition of a proton to the piperazine nitrogen that is not attached to the pyrimidinyl group. The major species at pH 7.3. It is a conjugate acid of a buspirone.

SMILES: O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2nccc[nH+]2)CC1

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

InChI: InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2/p+1

Molecular Properties:
- Polar Surface Area: 70.8 Ų
- LogP: 2.6