4-methylbenzenesulfonate; trimethyl(4-oxidanylidenehex-5-en-3-yl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl(4-oxidanylidenehex-5-en-3-yl)azanium Openeye Name: (1-ethyl-2-oxo-but-3-enyl)-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; trimethyl(4-oxohex-5-en-3-yl)ammonium IUPAC Name: 4-methylbenzenesulfonate; trimethyl(4-oxohex-5-en-3-yl)azanium Traditional Name: (1-ethyl-2-keto-but-3-enyl)-trimethyl-ammonium tosylate Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18NO.C7H8O3S/c1-6-8(9(11)7-2)10(3,4)5;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,2,6H2,1,3-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1