dimethyl(octadecyl)azanium; 5-sulfonato-2-(trimethylazaniumyl)pentanoate

Systemtic Name: dimethyl(octadecyl)azanium; 5-sulfonato-2-(trimethylazaniumyl)pentanoate Openeye Name: dimethyl(octadecyl)ammonium; 5-sulfonato-2-(trimethylammonio)pentanoate CAS Name: dimethyl(octadecyl)ammonium; 5-sulfonato-2-(trimethylammonio)pentanoate IUPAC Name: dimethyl(octadecyl)azanium; 5-sulfonato-2-(trimethylazaniumyl)pentanoate Traditional Name: dimethyl(stearyl)ammonium; 5-sulfonato-2-(trimethylammonio)valerate Formula: C28H60N2O5S MolecularWeight: 536.8514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](C)C.C[N+](C)(C)C(CCCS(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](C)C.C[N+](C)(C)C(CCCS(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H43N.C8H17NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-9(2,3)7(8(10)11)5-4-6-15(12,13)14/h4-20H2,1-3H3;7H,4-6H2,1-3H3,(H-,10,11,12,13,14)