Molecule ID: 54758668

IUPAC Name: 3-azaniumylpropyl-[4-(diaminomethylideneazaniumyl)butyl]azanium

Description: The molecule is a guanidinium ion obtained by protonation of the guanidino as well as the primary and secondary amino functions of N(1)-aminopropylagmatine; major species at pH 7.3. It is a conjugate acid of a N(1)-aminoaminopropylagmatine.

SMILES: [NH2+]=C([NH3+])NCCCCNCCC[NH3+]

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

InChI: InChI=1S/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13)/p+3

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: -1.6