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

Systemtic Name: (C-azaniumylcarbonimidoyl)-[3-(diphenylamino)-2-oxidanyl-propyl]azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-[2-hydroxy-3-(N-phenylanilino)propyl]ammonium sulfate CAS Name: [ammonio(imino)methyl]-[2-hydroxy-3-(N-phenylanilino)propyl]ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-[2-hydroxy-3-(N-phenylanilino)propyl]azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-[2-hydroxy-3-(N-phenylanilino)propyl]ammonium sulfate Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(C[NH2+]C(=N)[NH3+])O)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CC(C[NH2+]C(=N)[NH3+])O)C2=CC=CC=C2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H20N4O.H2O4S/c17-16(18)19-11-15(21)12-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-5(2,3)4/h1-10,15,21H,11-12H2,(H4,17,18,19);(H2,1,2,3,4)