4-methylbenzenesulfonate; trimethyl-(4-methyl-3-oxidanylidene-pent-4-enyl)azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18NO.C7H8O3S/c1-8(2)9(11)6-7-10(3,4)5;1-6-2-4-7(5-3-6)11(8,9)10/h1,6-7H2,2-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1