4-methylbenzenesulfonate; 1-(4-propan-2-ylphenyl)ethylazanium

Systemtic Name: 4-methylbenzenesulfonate; 1-(4-propan-2-ylphenyl)ethylazanium Openeye Name: 1-(4-isopropylphenyl)ethylammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-(4-propan-2-ylphenyl)ethylammonium IUPAC Name: 4-methylbenzenesulfonate; 1-(4-propan-2-ylphenyl)ethylazanium Traditional Name: 1-p-cumenylethylammonium tosylate Formula: C18H25NO3S MolecularWeight: 335.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C1=CC=C(C=C1)C(C)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C1=CC=C(C=C1)C(C)[NH3+]

InChI

InChI=1S/C11H17N.C7H8O3S/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,12H2,1-3H3;2-5H,1H3,(H,8,9,10)