Molecule ID: 25200786

IUPAC Name: 4-benzamidobutyl(diaminomethylidene)azanium

Description: The molecule is the conjugate acid of benzoylagmatine arising from protonation of the guanidino group; major species at pH 7.3. It is a conjugate acid of a benzoylagmatine.

SMILES: NC(=[NH2+])NCCCCN=C(O)c1ccccc1

SELFIES: [N][C][=Branch1][C][=NH2+1][N][C][C][C][C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C12H18N4O/c13-12(14)16-9-5-4-8-15-11(17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,17)(H4,13,14,16)/p+1

Molecular Properties:
- Polar Surface Area: 95.1 Ų
- LogP: 0.0