disodium 2-[carbamimidoyl(methyl)amino]ethanoic acid phosphate hexahydrate

Systemtic Name: disodium 2-[carbamimidoyl(methyl)amino]ethanoic acid phosphate hexahydrate Openeye Name: disodium 2-[carbamimidoyl(methyl)amino]acetic acid phosphate hexahydrate CAS Name: disodium 2-[carbamimidoyl(methyl)amino]acetic acid phosphate hexahydrate IUPAC Name: disodium 2-[carbamimidoyl(methyl)amino]acetic acid phosphate hexahydrate Traditional Name: disodium 2-[amidino(methyl)amino]acetic acid phosphate hexahydrate Formula: C4H21N3Na2O12P- MolecularWeight: 380.175741

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=N)N.O.O.O.O.O.O.[O-]P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CN(CC(=O)O)C(=N)N.O.O.O.O.O.O.[O-]P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C4H9N3O2.2Na.H3O4P.6H2O/c1-7(4(5)6)2-3(8)9;;;1-5(2,3)4;;;;;;/h2H2,1H3,(H3,5,6)(H,8,9);;;(H3,1,2,3,4);6*1H2/q;2*+1;;;;;;;/p-3