dodecyl(trimethyl)azanium; 4-fluoranylbenzenesulfonic acid

Systemtic Name: dodecyl(trimethyl)azanium; 4-fluoranylbenzenesulfonic acid Openeye Name: dodecyl(trimethyl)ammonium; 4-fluorobenzenesulfonic acid CAS Name: dodecyl(trimethyl)ammonium; 4-fluorobenzenesulfonic acid IUPAC Name: dodecyl(trimethyl)azanium; 4-fluorobenzenesulfonic acid Traditional Name: 4-fluorobesylic acid; lauryl(trimethyl)ammonium Formula: C21H39FNO3S+ MolecularWeight: 404.602663

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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;