4-chloranyl-1-ethyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-chloranyl-1-ethyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-chloro-1-ethyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-chloro-1-ethylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-chloro-1-ethylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-chloro-1-ethyl-pyridin-1-ium tosylate Formula: C14H16ClNO3S MolecularWeight: 313.79974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9ClN.C7H8O3S/c1-2-9-5-3-7(8)4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1