Molecule ID: 25201943

IUPAC Name: 3-acetamidopropyl-[4-(3-azaniumylpropylazaniumyl)butyl]azanium

Description: The molecule is trication of N(1)-acetylspermine arising from protonation of the one primary and two secondary amino groups; 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)-acetylspermine.

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

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

InChI: InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)/p+3

Molecular Properties:
- Polar Surface Area: 90.0 Ų
- LogP: -0.8