[N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)carbamimidoyl]azanium sulfate

Systemtic Name: [N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)carbamimidoyl]azanium sulfate Openeye Name: [N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)carbamimidoyl]ammonium sulfate CAS Name: [amino(2,3-dihydro-1,4-benzodioxin-3-ylmethylimino)methyl]ammonium sulfate IUPAC Name: [N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)carbamimidoyl]azanium sulfate Traditional Name: [N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amidino]ammonium sulfate Formula: C20H28N6O8S MolecularWeight: 512.53672

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CN=C([NH3+])N.C1C(OC2=CC=CC=C2O1)CN=C([NH3+])N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CN=C([NH3+])N.C1C(OC2=CC=CC=C2O1)CN=C([NH3+])N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H13N3O2.H2O4S/c2*11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7;1-5(2,3)4/h2*1-4,7H,5-6H2,(H4,11,12,13);(H2,1,2,3,4)