dodecan-3-yl(dimethyl)azanium; propane-1-sulfonate

Systemtic Name: dodecan-3-yl(dimethyl)azanium; propane-1-sulfonate Openeye Name: 1-ethyldecyl(dimethyl)ammonium; propane-1-sulfonate CAS Name: dodecan-3-yl(dimethyl)ammonium; 1-propanesulfonate IUPAC Name: dodecan-3-yl(dimethyl)azanium; propane-1-sulfonate Traditional Name: 1-ethyldecyl(dimethyl)ammonium; propane-1-sulfonate Formula: C17H39NO3S MolecularWeight: 337.56146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)[NH+](C)C.CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(CC)[NH+](C)C.CCCS(=O)(=O)[O-]

InChI

InChI=1S/C14H31N.C3H8O3S/c1-5-7-8-9-10-11-12-13-14(6-2)15(3)4;1-2-3-7(4,5)6/h14H,5-13H2,1-4H3;2-3H2,1H3,(H,4,5,6)