1-ethylpyridin-1-ium-2-amine; 4-methylbenzenesulfonate

Systemtic Name: 1-ethylpyridin-1-ium-2-amine; 4-methylbenzenesulfonate Openeye Name: 1-ethylpyridin-1-ium-2-amine; 4-methylbenzenesulfonate CAS Name: 1-ethyl-2-pyridin-1-iumamine; 4-methylbenzenesulfonate IUPAC Name: 1-ethylpyridin-1-ium-2-amine; 4-methylbenzenesulfonate Traditional Name: (1-ethylpyridin-1-ium-2-yl)amine tosylate Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=CC=C1N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H10N2.C7H8O3S/c1-2-9-6-4-3-5-7(9)8;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,8H,2H2,1H3;2-5H,1H3,(H,8,9,10)