tetraazanium N,N-bis(phosphonatomethyl)heptan-1-amine

Systemtic Name: tetraazanium N,N-bis(phosphonatomethyl)heptan-1-amine Openeye Name: tetraammonium N,N-bis(phosphonatomethyl)heptan-1-amine CAS Name: tetraammonium N,N-bis(phosphonatomethyl)-1-heptanamine IUPAC Name: tetraazanium N,N-bis(phosphonatomethyl)heptan-1-amine Traditional Name: tetraammonium heptyl-bis(phosphonatomethyl)amine Formula: C9H35N5O6P2 MolecularWeight: 371.351622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C9H23NO6P2.4H3N/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);4*1H3