methyl-tri(octanoyl)azanium sulfate

Systemtic Name: methyl-tri(octanoyl)azanium sulfate Openeye Name: methyl-tri(octanoyl)ammonium sulfate CAS Name: methyl-tris(1-oxooctyl)ammonium sulfate IUPAC Name: methyl-tri(octanoyl)azanium sulfate Traditional Name: tricaprylyl(methyl)ammonium sulfate Formula: C25H48NO7S- MolecularWeight: 506.71612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[N+](C)(C(=O)CCCCCCC)C(=O)CCCCCCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)[N+](C)(C(=O)CCCCCCC)C(=O)CCCCCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C25H48NO3.H2O4S/c1-5-8-11-14-17-20-23(27)26(4,24(28)21-18-15-12-9-6-2)25(29)22-19-16-13-10-7-3;1-5(2,3)4/h5-22H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2