[(4R)-4-azaniumyl-5-oxidanylidene-5-phenylmethoxy-pentyl]-[azanyl(nitramido)methylidene]azanium

Systemtic Name: [(4R)-4-azaniumyl-5-oxidanylidene-5-phenylmethoxy-pentyl]-[azanyl(nitramido)methylidene]azanium Openeye Name: [amino(nitramido)methylene]-[(4R)-4-azaniumyl-5-benzyloxy-5-oxo-pentyl]ammonium CAS Name: [amino(nitramido)methylidene]-[(4R)-4-ammonio-5-oxo-5-phenylmethoxypentyl]ammonium IUPAC Name: [amino(nitramido)methylidene]-[(4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentyl]azanium Traditional Name: [amino(nitramido)methylene]-[(4R)-4-ammonio-5-benzoxy-5-keto-pentyl]ammonium Formula: C13H21N5O4+2 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCC[NH+]=C(N)N[N+](=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@@H](CCC[NH+]=C(N)N[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C13H19N5O4/c14-11(7-4-8-16-13(15)17-18(20)21)12(19)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H3,15,16,17)/p+2/t11-/m1/s1