4-methylbenzenesulfonate; 1-methylquinolin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methylquinolin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methylquinolin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methylquinolin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methylquinolin-1-ium Traditional Name: 1-methylquinolin-1-ium tosylate Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C10H10N.C7H8O3S/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h2-8H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1