[N'-[(3-bromophenyl)methyl]carbamimidoyl]azanium sulfate

Systemtic Name: [N'-[(3-bromophenyl)methyl]carbamimidoyl]azanium sulfate Openeye Name: [N'-[(3-bromophenyl)methyl]carbamimidoyl]ammonium sulfate CAS Name: [amino-[(3-bromophenyl)methylimino]methyl]ammonium sulfate IUPAC Name: [N'-[(3-bromophenyl)methyl]carbamimidoyl]azanium sulfate Traditional Name: [N'-(3-bromobenzyl)amidino]ammonium sulfate Formula: C16H22Br2N6O4S MolecularWeight: 554.25668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN=C([NH3+])N.C1=CC(=CC(=C1)Br)CN=C([NH3+])N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN=C([NH3+])N.C1=CC(=CC(=C1)Br)CN=C([NH3+])N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C8H10BrN3.H2O4S/c2*9-7-3-1-2-6(4-7)5-12-8(10)11;1-5(2,3)4/h2*1-4H,5H2,(H4,10,11,12);(H2,1,2,3,4)