Molecule ID: 25200474

IUPAC Name: [(1R,2S,3S,4R,5S,6S)-3-azaniumyl-2,4,5,6-tetrahydroxycyclohexyl]-(diaminomethylidene)azanium

Description: The molecule is dication of 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol arising from protonation of the amino and guanidino groups; major species at pH 7.3. It is a guanidinium ion and an organic cation. It is a conjugate acid of a 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol.

SMILES: NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H]([NH3+])[C@@H]1O

SELFIES: [N][C][=Branch1][C][=NH2+1][N][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][NH3+1][C@@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C7H16N4O4/c8-1-3(12)2(11-7(9)10)5(14)6(15)4(1)13/h1-6,12-15H,8H2,(H4,9,10,11)/p+2/t1-,2+,3-,4+,5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 175.0 Ų
- LogP: -4.9