but-3-ynyl-dodecyl-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: but-3-ynyl-dodecyl-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: but-3-ynyl-dodecyl-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: but-3-ynyl-dodecyl-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: but-3-ynyl-dodecyl-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: but-3-ynyl-lauryl-dimethyl-ammonium tosylate Formula: C25H43NO3S MolecularWeight: 437.67882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCC#C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCC#C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H36N.C7H8O3S/c1-5-7-9-10-11-12-13-14-15-16-18-19(3,4)17-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h2H,5,7-18H2,1,3-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1