1,5-bis(oxidanyl)pentan-3-yl-(3-decoxy-2-oxidanyl-propyl)azanium; methyl sulfate

Systemtic Name: 1,5-bis(oxidanyl)pentan-3-yl-(3-decoxy-2-oxidanyl-propyl)azanium; methyl sulfate Openeye Name: (3-decoxy-2-hydroxy-propyl)-[3-hydroxy-1-(2-hydroxyethyl)propyl]ammonium; methyl sulfate CAS Name: (3-decoxy-2-hydroxypropyl)-(1,5-dihydroxypentan-3-yl)ammonium; methyl sulfate IUPAC Name: (3-decoxy-2-hydroxypropyl)-(1,5-dihydroxypentan-3-yl)azanium; methyl sulfate Traditional Name: (3-decoxy-2-hydroxy-propyl)-[3-hydroxy-1-(2-hydroxyethyl)propyl]ammonium; methyl sulfate Formula: C19H43NO8S MolecularWeight: 445.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC(C[NH2+]C(CCO)CCO)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOCC(C[NH2+]C(CCO)CCO)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H39NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-14-23-16-18(22)15-19-17(10-12-20)11-13-21;1-5-6(2,3)4/h17-22H,2-16H2,1H3;1H3,(H,2,3,4)