Molecule ID: 45266906

IUPAC Name: 6-[[2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)acetyl]amino]hexylazanium;chloride

Description: The molecule is the organoammonium salt formed from equimolar amounts of N(6)-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylacetyl)-6-aminohexanoic acid (Butaz) and hydrogen chloride. It is a member of pyrazolidines and an organoammonium salt.

SMILES: Cl.NCCCCCCN=C(O)CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

SELFIES: [Cl].[N][C][C][C][C][C][C][N][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O]

InChI: InChI=1S/C23H28N4O3.ClH/c24-15-9-1-2-10-16-25-21(28)17-20-22(29)26(18-11-5-3-6-12-18)27(23(20)30)19-13-7-4-8-14-19;/h3-8,11-14,20H,1-2,9-10,15-17,24H2,(H,25,28);1H

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