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

Systemtic Name: (C-azaniumylcarbonimidoyl)-[3-(2-methylphenoxy)-2-oxidanyl-propyl]azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-[2-hydroxy-3-(2-methylphenoxy)propyl]ammonium sulfate CAS Name: [ammonio(imino)methyl]-[2-hydroxy-3-(2-methylphenoxy)propyl]ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-[2-hydroxy-3-(2-methylphenoxy)propyl]ammonium sulfate Formula: C11H19N3O6S MolecularWeight: 321.35006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH2+]C(=N)[NH3+])O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC(C[NH2+]C(=N)[NH3+])O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C11H17N3O2.H2O4S/c1-8-4-2-3-5-10(8)16-7-9(15)6-14-11(12)13;1-5(2,3)4/h2-5,9,15H,6-7H2,1H3,(H4,12,13,14);(H2,1,2,3,4)