tert-butyl-ethenyl-(phenylmethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: tert-butyl-ethenyl-(phenylmethyl)azanium; 4-methylbenzenesulfonate Openeye Name: benzyl-tert-butyl-vinyl-ammonium; 4-methylbenzenesulfonate CAS Name: tert-butyl-ethenyl-(phenylmethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: benzyl-tert-butyl-ethenylazanium; 4-methylbenzenesulfonate Traditional Name: benzyl-tert-butyl-vinyl-ammonium tosylate Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N.C7H8O3S/c1-5-14(13(2,3)4)11-12-9-7-6-8-10-12;1-6-2-4-7(5-3-6)11(8,9)10/h5-10H,1,11H2,2-4H3;2-5H,1H3,(H,8,9,10)