2-[(4-tert-butylphenoxy)methyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-[(4-tert-butylphenoxy)methyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2-[(4-tert-butylphenoxy)methyl]-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 2-[(4-tert-butylphenoxy)methyl]-1-methylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2-[(4-tert-butylphenoxy)methyl]-1-methylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2-[(4-tert-butylphenoxy)methyl]-1-methyl-pyridin-1-ium tosylate Formula: C24H29NO4S MolecularWeight: 427.55636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC=[N+]2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC=[N+]2C

InChI

InChI=1S/C17H22NO.C7H8O3S/c1-17(2,3)14-8-10-16(11-9-14)19-13-15-7-5-6-12-18(15)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-12H,13H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1