(C-azaniumylcarbonimidoyl)-[3-[ethyl(phenyl)amino]-2-oxidanyl-propyl]azanium sulfate

Systemtic Name: (C-azaniumylcarbonimidoyl)-[3-[ethyl(phenyl)amino]-2-oxidanyl-propyl]azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-[3-(N-ethylanilino)-2-hydroxy-propyl]ammonium sulfate CAS Name: [ammonio(imino)methyl]-[3-(N-ethylanilino)-2-hydroxypropyl]ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-[3-(N-ethylanilino)-2-hydroxypropyl]azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-[3-(N-ethylanilino)-2-hydroxy-propyl]ammonium sulfate Formula: C12H22N4O5S MolecularWeight: 334.39188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O.H2O4S/c1-2-16(10-6-4-3-5-7-10)9-11(17)8-15-12(13)14;1-5(2,3)4/h3-7,11,17H,2,8-9H2,1H3,(H4,13,14,15);(H2,1,2,3,4)