4-chloranyl-1-ethyl-2-methyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-chloranyl-1-ethyl-2-methyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-chloro-1-ethyl-2-methyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-chloro-1-ethyl-2-methylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-chloro-1-ethyl-2-methylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-chloro-1-ethyl-2-methyl-quinolin-1-ium tosylate Formula: C19H20ClNO3S MolecularWeight: 377.885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=C(C2=CC=CC=C21)Cl)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C=C(C2=CC=CC=C21)Cl)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H13ClN.C7H8O3S/c1-3-14-9(2)8-11(13)10-6-4-5-7-12(10)14;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1