4-azaniumylbutyl(3-azaniumylpropyl)azanium; hydrogen phosphate

Systemtic Name: 4-azaniumylbutyl(3-azaniumylpropyl)azanium; hydrogen phosphate Openeye Name: 4-azaniumylbutyl(3-azaniumylpropyl)ammonium; hydrogen phosphate CAS Name: 4-ammoniobutyl(3-ammoniopropyl)ammonium; hydrogen phosphate IUPAC Name: 4-azaniumylbutyl(3-azaniumylpropyl)azanium; hydrogen phosphate Traditional Name: 4-ammoniobutyl(3-ammoniopropyl)ammonium; hydrogen phosphate Formula: C14H47N6O12P3 MolecularWeight: 584.477263

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Descriptors Computed from Structure

Canonical SMILES:

C(CC[NH2+]CCC[NH3+])C[NH3+].C(CC[NH2+]CCC[NH3+])C[NH3+].OP(=O)([O-])[O-].OP(=O)([O-])[O-].OP(=O)([O-])[O-]

Isomeric SMILES

C(CC[NH2+]CCC[NH3+])C[NH3+].C(CC[NH2+]CCC[NH3+])C[NH3+].OP(=O)([O-])[O-].OP(=O)([O-])[O-].OP(=O)([O-])[O-]

InChI

InChI=1S/2C7H19N3.3H3O4P/c2*8-4-1-2-6-10-7-3-5-9;3*1-5(2,3)4/h2*10H,1-9H2;3*(H3,1,2,3,4)