2-[(3-azanyl-3-methylimino-propyl)amino]ethylsulfanylphosphonic acid hydrate

Systemtic Name: 2-[(3-azanyl-3-methylimino-propyl)amino]ethylsulfanylphosphonic acid hydrate Openeye Name: 2-[(3-amino-3-methylimino-propyl)amino]ethylsulfanylphosphonic acid hydrate CAS Name: [2-[(3-amino-3-methyliminopropyl)amino]ethylthio]phosphonic acid hydrate IUPAC Name: 2-[(3-amino-3-methyliminopropyl)amino]ethylsulfanylphosphonic acid hydrate Traditional Name: [2-[(3-amino-3-methylimino-propyl)amino]ethylthio]phosphonic acid hydrate Formula: C6H18N3O4PS MolecularWeight: 259.263581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(CCNCCSP(=O)(O)O)N.O

Isomeric SMILES

CN=C(CCNCCSP(=O)(O)O)N.O

InChI

InChI=1S/C6H16N3O3PS.H2O/c1-8-6(7)2-3-9-4-5-14-13(10,11)12;/h9H,2-5H2,1H3,(H2,7,8)(H2,10,11,12);1H2