hexadecyl(oxidanyl)azanium; methyl butane-2-sulfonate

Systemtic Name: hexadecyl(oxidanyl)azanium; methyl butane-2-sulfonate Openeye Name: hexadecyl(hydroxy)ammonium; methyl butane-2-sulfonate CAS Name: 2-butanesulfonic acid; hexadecyl(hydroxy)ammonium IUPAC Name: hexadecyl(hydroxy)azanium; methyl butane-2-sulfonate Traditional Name: butane-2-sulfonic acid methyl ester; cetyl(hydroxy)ammonium Formula: C21H48NO4S+ MolecularWeight: 410.67512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH2+]O.CCC(C)S(=O)(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH2+]O.CCC(C)S(=O)(=O)OC

InChI

InChI=1S/C16H35NO.C5H12O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-4-5(2)9(6,7)8-3/h17-18H,2-16H2,1H3;5H,4H2,1-3H3/p+1