(C-azaniumylcarbonimidoyl)-(2-oxidanyl-3-phenoxy-propyl)azanium sulfate

Systemtic Name: (C-azaniumylcarbonimidoyl)-(2-oxidanyl-3-phenoxy-propyl)azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-(2-hydroxy-3-phenoxy-propyl)ammonium sulfate CAS Name: [ammonio(imino)methyl]-(2-hydroxy-3-phenoxypropyl)ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-(2-hydroxy-3-phenoxypropyl)azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-(2-hydroxy-3-phenoxy-propyl)ammonium sulfate Formula: C10H17N3O6S MolecularWeight: 307.32348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[NH2+]C(=N)[NH3+])O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC(C[NH2+]C(=N)[NH3+])O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C10H15N3O2.H2O4S/c11-10(12)13-6-8(14)7-15-9-4-2-1-3-5-9;1-5(2,3)4/h1-5,8,14H,6-7H2,(H4,11,12,13);(H2,1,2,3,4)