tetraazanium 7-methyl-N,N-bis(phosphonatomethyl)octan-1-amine

Systemtic Name: tetraazanium 7-methyl-N,N-bis(phosphonatomethyl)octan-1-amine Openeye Name: tetraammonium 7-methyl-N,N-bis(phosphonatomethyl)octan-1-amine CAS Name: tetraammonium 7-methyl-N,N-bis(phosphonatomethyl)-1-octanamine IUPAC Name: tetraazanium 7-methyl-N,N-bis(phosphonatomethyl)octan-1-amine Traditional Name: tetraammonium 7-methyloctyl-bis(phosphonatomethyl)amine Formula: C11H39N5O6P2 MolecularWeight: 399.404782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

CC(C)CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C11H27NO6P2.4H3N/c1-11(2)7-5-3-4-6-8-12(9-19(13,14)15)10-20(16,17)18;;;;/h11H,3-10H2,1-2H3,(H2,13,14,15)(H2,16,17,18);4*1H3