dimethyl(octadecyl)azanium; 3-oxidanylpropane-1-sulfonate

Systemtic Name: dimethyl(octadecyl)azanium; 3-oxidanylpropane-1-sulfonate Openeye Name: dimethyl(octadecyl)ammonium; 3-hydroxypropane-1-sulfonate CAS Name: dimethyl(octadecyl)ammonium; 3-hydroxy-1-propanesulfonate IUPAC Name: dimethyl(octadecyl)azanium; 3-hydroxypropane-1-sulfonate Traditional Name: dimethyl(stearyl)ammonium; 3-hydroxypropane-1-sulfonate Formula: C23H51NO4S MolecularWeight: 437.72034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](C)C.C(CO)CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](C)C.C(CO)CS(=O)(=O)[O-]

InChI

InChI=1S/C20H43N.C3H8O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;4-2-1-3-8(5,6)7/h4-20H2,1-3H3;4H,1-3H2,(H,5,6,7)