(C-azaniumylcarbonimidoyl)-(2-phenoxyethyl)azanium sulfate

Systemtic Name: (C-azaniumylcarbonimidoyl)-(2-phenoxyethyl)azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-(2-phenoxyethyl)ammonium sulfate CAS Name: [ammonio(imino)methyl]-(2-phenoxyethyl)ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-(2-phenoxyethyl)azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-(2-phenoxyethyl)ammonium sulfate Formula: C9H15N3O5S MolecularWeight: 277.2975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O.H2O4S/c10-9(11)12-6-7-13-8-4-2-1-3-5-8;1-5(2,3)4/h1-5H,6-7H2,(H4,10,11,12);(H2,1,2,3,4)