(2,3-dimethylphenyl)methyl-ethyl-(2-methylprop-2-enoyloxy)azanium; 4-methylbenzenesulfonate

Systemtic Name: (2,3-dimethylphenyl)methyl-ethyl-(2-methylprop-2-enoyloxy)azanium; 4-methylbenzenesulfonate Openeye Name: (2,3-dimethylphenyl)methyl-ethyl-(2-methylprop-2-enoyloxy)ammonium; 4-methylbenzenesulfonate CAS Name: (2,3-dimethylphenyl)methyl-ethyl-(2-methyl-1-oxoprop-2-enoxy)ammonium; 4-methylbenzenesulfonate IUPAC Name: (2,3-dimethylphenyl)methyl-ethyl-(2-methylprop-2-enoyloxy)azanium; 4-methylbenzenesulfonate Traditional Name: (2,3-dimethylbenzyl)-ethyl-methacryloyloxy-ammonium tosylate Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC(=C1C)C)OC(=O)C(=C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CC1=CC=CC(=C1C)C)OC(=O)C(=C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H21NO2.C7H8O3S/c1-6-16(18-15(17)11(2)3)10-14-9-7-8-12(4)13(14)5;1-6-2-4-7(5-3-6)11(8,9)10/h7-9H,2,6,10H2,1,3-5H3;2-5H,1H3,(H,8,9,10)