2-[1-[bis(2-oxidanylpropyl)azaniumyl]propan-2-yloxy]propyl-bis(2-oxidanylpropyl)azanium sulfate

Systemtic Name: 2-[1-[bis(2-oxidanylpropyl)azaniumyl]propan-2-yloxy]propyl-bis(2-oxidanylpropyl)azanium sulfate Openeye Name: 2-[2-[bis(2-hydroxypropyl)ammonio]-1-methyl-ethoxy]propyl-bis(2-hydroxypropyl)ammonium sulfate CAS Name: 2-[1-[bis(2-hydroxypropyl)ammonio]propan-2-yloxy]propyl-bis(2-hydroxypropyl)ammonium sulfate IUPAC Name: 2-[1-[bis(2-hydroxypropyl)azaniumyl]propan-2-yloxy]propyl-bis(2-hydroxypropyl)azanium sulfate Traditional Name: 2-[2-[bis(2-hydroxypropyl)ammonio]-1-methyl-ethoxy]propyl-bis(2-hydroxypropyl)ammonium sulfate Formula: C18H42N2O9S MolecularWeight: 462.59908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC(C)O)CC(C)OC(C)C[NH+](CC(C)O)CC(C)O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C[NH+](CC(C)O)CC(C)OC(C)C[NH+](CC(C)O)CC(C)O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C18H40N2O5.H2O4S/c1-13(21)7-19(8-14(2)22)11-17(5)25-18(6)12-20(9-15(3)23)10-16(4)24;1-5(2,3)4/h13-18,21-24H,7-12H2,1-6H3;(H2,1,2,3,4)