heptane-1-sulfonate; hexadecyl(trimethyl)azanium

Systemtic Name: heptane-1-sulfonate; hexadecyl(trimethyl)azanium Openeye Name: heptane-1-sulfonate; hexadecyl(trimethyl)ammonium CAS Name: 1-heptanesulfonate; hexadecyl(trimethyl)ammonium IUPAC Name: heptane-1-sulfonate; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; heptane-1-sulfonate Formula: C26H57NO3S MolecularWeight: 463.80068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCS(=O)(=O)[O-]

InChI

InChI=1S/C19H42N.C7H16O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7-11(8,9)10/h5-19H2,1-4H3;2-7H2,1H3,(H,8,9,10)/q+1;/p-1