4-methylbenzenesulfonate; trimethyl-(2-methyl-3-oxidanylidene-pent-4-en-2-yl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-(2-methyl-3-oxidanylidene-pent-4-en-2-yl)azanium Openeye Name: (1,1-dimethyl-2-oxo-but-3-enyl)-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; trimethyl-(2-methyl-3-oxopent-4-en-2-yl)ammonium IUPAC Name: 4-methylbenzenesulfonate; trimethyl-(2-methyl-3-oxopent-4-en-2-yl)azanium Traditional Name: (2-keto-1,1-dimethyl-but-3-enyl)-trimethyl-ammonium tosylate Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18NO.C7H8O3S/c1-7-8(11)9(2,3)10(4,5)6;1-6-2-4-7(5-3-6)11(8,9)10/h7H,1H2,2-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1