butyl-dimethyl-phenyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: butyl-dimethyl-phenyl-azanium; 4-methylbenzenesulfonate Openeye Name: butyl-dimethyl-phenyl-ammonium; 4-methylbenzenesulfonate CAS Name: butyl-dimethyl-phenylammonium; 4-methylbenzenesulfonate IUPAC Name: butyl-dimethyl-phenylazanium; 4-methylbenzenesulfonate Traditional Name: butyl-dimethyl-phenyl-ammonium tosylate Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C)C1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](C)(C)C1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H20N.C7H8O3S/c1-4-5-11-13(2,3)12-9-7-6-8-10-12;1-6-2-4-7(5-3-6)11(8,9)10/h6-10H,4-5,11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1