Molecule ID: 25203502

IUPAC Name: 3-acetamidopropyl(4-azaniumylbutyl)azanium

Description: The molecule is a doubly-charged ammonium ion arising from protonation of the primary and secondary amino groups of N(1)-acetylspermidine; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a N(1)-acetylspermidine.

SMILES: CC(O)=NCCC[NH2+]CCCC[NH3+]

SELFIES: [C][C][Branch1][C][O][=N][C][C][C][NH2+1][C][C][C][C][NH3+1]

InChI: InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)/p+2

Molecular Properties:
- Polar Surface Area: 73.4 Ų
- LogP: -0.8