dodecyl(trimethyl)azanium; 4-fluoranylbenzenesulfonate

Systemtic Name: dodecyl(trimethyl)azanium; 4-fluoranylbenzenesulfonate Openeye Name: dodecyl(trimethyl)ammonium; 4-fluorobenzenesulfonate CAS Name: dodecyl(trimethyl)ammonium; 4-fluorobenzenesulfonate IUPAC Name: dodecyl(trimethyl)azanium; 4-fluorobenzenesulfonate Traditional Name: 4-fluorobesylate; lauryl(trimethyl)ammonium Formula: C21H38FNO3S MolecularWeight: 403.594723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C.C1=CC(=CC=C1F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C.C1=CC(=CC=C1F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H34N.C6H5FO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;7-5-1-3-6(4-2-5)11(8,9)10/h5-15H2,1-4H3;1-4H,(H,8,9,10)/q+1;/p-1