1-phosphono-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1-sulfonic acid

Systemtic Name: 1-phosphono-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1-sulfonic acid Openeye Name: 1-phosphono-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1-sulfonic acid CAS Name: 1-phosphono-1-(2,3,4,5-tetrahydropyridin-6-ylamino)-1-propanesulfonic acid IUPAC Name: 1-phosphono-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1-sulfonic acid Traditional Name: 1-phosphono-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1-sulfonic acid Formula: C8H17N2O6PS MolecularWeight: 300.269141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=NCCCC1)(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCC(NC1=NCCCC1)(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C8H17N2O6PS/c1-2-8(17(11,12)13,18(14,15)16)10-7-5-3-4-6-9-7/h2-6H2,1H3,(H,9,10)(H2,11,12,13)(H,14,15,16)