4-methylbenzenesulfonic acid; 2-methyl-2-pyridin-2-yl-propan-1-amine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-methyl-2-pyridin-2-yl-propan-1-amine Openeye Name: 4-methylbenzenesulfonic acid; 2-methyl-2-(2-pyridyl)propan-1-amine CAS Name: 4-methylbenzenesulfonic acid; 2-methyl-2-(2-pyridinyl)-1-propanamine IUPAC Name: 4-methylbenzenesulfonic acid; 2-methyl-2-pyridin-2-ylpropan-1-amine Traditional Name: [2-methyl-2-(2-pyridyl)propyl]amine; tosylic acid Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(CN)C1=CC=CC=N1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(CN)C1=CC=CC=N1

InChI

InChI=1S/C9H14N2.C7H8O3S/c1-9(2,7-10)8-5-3-4-6-11-8;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,7,10H2,1-2H3;2-5H,1H3,(H,8,9,10)