3-azaniumylpropyl-tris(3-oxidanylpropyl)azanium diethanoate

Systemtic Name: 3-azaniumylpropyl-tris(3-oxidanylpropyl)azanium diethanoate Openeye Name: 3-azaniumylpropyl-tris(3-hydroxypropyl)ammonium diacetate CAS Name: 3-ammoniopropyl-tris(3-hydroxypropyl)ammonium diacetate IUPAC Name: 3-azaniumylpropyl-tris(3-hydroxypropyl)azanium diacetate Traditional Name: 3-ammoniopropyl-tris(3-hydroxypropyl)ammonium diacetate Formula: C16H36N2O7 MolecularWeight: 368.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C(C[NH3+])C[N+](CCCO)(CCCO)CCCO

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C(C[NH3+])C[N+](CCCO)(CCCO)CCCO

InChI

InChI=1S/C12H29N2O3.2C2H4O2/c13-5-1-6-14(7-2-10-15,8-3-11-16)9-4-12-17;2*1-2(3)4/h15-17H,1-13H2;2*1H3,(H,3,4)/q+1;;/p-1