carbamimidoyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium sulfate

Systemtic Name: carbamimidoyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium sulfate Openeye Name: carbamimidoyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium sulfate CAS Name: carbamimidoyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium sulfate IUPAC Name: carbamimidoyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium sulfate Traditional Name: amidino(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium sulfate Formula: C20H28N6O8S MolecularWeight: 512.53672

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C[NH2+]C(=N)N.C1COC2=C(O1)C=CC(=C2)C[NH2+]C(=N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C[NH2+]C(=N)N.C1COC2=C(O1)C=CC(=C2)C[NH2+]C(=N)N.[O-]S(=O)(=O)[O-]

InChI

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