(C-azaniumylcarbonimidoyl)-[2-oxidanyl-3-(phenoxymethoxy)propyl]azanium sulfate

Systemtic Name: (C-azaniumylcarbonimidoyl)-[2-oxidanyl-3-(phenoxymethoxy)propyl]azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-[2-hydroxy-3-(phenoxymethoxy)propyl]ammonium sulfate CAS Name: [ammonio(imino)methyl]-[2-hydroxy-3-(phenoxymethoxy)propyl]ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-[2-hydroxy-3-(phenoxymethoxy)propyl]azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-[2-hydroxy-3-(phenoxymethoxy)propyl]ammonium sulfate Formula: C11H19N3O7S MolecularWeight: 337.34946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O3.H2O4S/c12-11(13)14-6-9(15)7-16-8-17-10-4-2-1-3-5-10;1-5(2,3)4/h1-5,9,15H,6-8H2,(H4,12,13,14);(H2,1,2,3,4)