disodium 1-[N'-(phenylmethyl)carbamimidoyl]-2-phosphonato-guanidine hydrate

Systemtic Name: disodium 1-[N'-(phenylmethyl)carbamimidoyl]-2-phosphonato-guanidine hydrate Openeye Name: disodium 1-(N'-benzylcarbamimidoyl)-2-phosphonato-guanidine hydrate CAS Name: disodium 1-[amino-(phenylmethyl)iminomethyl]-2-phosphonatoguanidine hydrate IUPAC Name: disodium 1-(N'-benzylcarbamimidoyl)-2-phosphonatoguanidine hydrate Traditional Name: disodium 1-(N'-benzylamidino)-2-phosphonato-guanidine hydrate Formula: C9H14N5Na2O4P MolecularWeight: 333.191861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=C(N)NC(=NP(=O)([O-])[O-])N.O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CN=C(N)N/C(=N/P(=O)([O-])[O-])/N.O.[Na+].[Na+]

InChI

InChI=1S/C9H14N5O3P.2Na.H2O/c10-8(13-9(11)14-18(15,16)17)12-6-7-4-2-1-3-5-7;;;/h1-5H,6H2,(H7,10,11,12,13,14,15,16,17);;;1H2/q;2*+1;/p-2