(C-azaniumylcarbonimidoyl)-[(3,4-dipropoxyphenyl)methyl]azanium sulfate

Systemtic Name: (C-azaniumylcarbonimidoyl)-[(3,4-dipropoxyphenyl)methyl]azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-[(3,4-dipropoxyphenyl)methyl]ammonium sulfate CAS Name: [ammonio(imino)methyl]-[(3,4-dipropoxyphenyl)methyl]ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-[(3,4-dipropoxyphenyl)methyl]azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-(3,4-dipropoxybenzyl)ammonium sulfate Formula: C14H25N3O6S MolecularWeight: 363.4298

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C[NH2+]C(=N)[NH3+])OCCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C[NH2+]C(=N)[NH3+])OCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C14H23N3O2.H2O4S/c1-3-7-18-12-6-5-11(10-17-14(15)16)9-13(12)19-8-4-2;1-5(2,3)4/h5-6,9H,3-4,7-8,10H2,1-2H3,(H4,15,16,17);(H2,1,2,3,4)