butane-1-sulfonate; hexadecyl-methyl-oxidanyl-azanium

Systemtic Name: butane-1-sulfonate; hexadecyl-methyl-oxidanyl-azanium Openeye Name: butane-1-sulfonate; hexadecyl-hydroxy-methyl-ammonium CAS Name: 1-butanesulfonate; hexadecyl-hydroxy-methylammonium IUPAC Name: butane-1-sulfonate; hexadecyl-hydroxy-methylazanium Traditional Name: butane-1-sulfonate; cetyl-hydroxy-methyl-ammonium Formula: C21H47NO4S MolecularWeight: 409.66718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+](C)O.CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+](C)O.CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C17H37NO.C4H10O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19;1-2-3-4-8(5,6)7/h19H,3-17H2,1-2H3;2-4H2,1H3,(H,5,6,7)