(1-ethylquinolin-1-ium-4-yl) 4-methylbenzenesulfonate chloride

Systemtic Name: (1-ethylquinolin-1-ium-4-yl) 4-methylbenzenesulfonate chloride Openeye Name: (1-ethylquinolin-1-ium-4-yl) 4-methylbenzenesulfonate chloride CAS Name: 4-methylbenzenesulfonic acid (1-ethyl-4-quinolin-1-iumyl) ester chloride IUPAC Name: (1-ethylquinolin-1-ium-4-yl) 4-methylbenzenesulfonate chloride Traditional Name: 4-methylbenzenesulfonic acid (1-ethylquinolin-1-ium-4-yl) ester chloride Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC=C(C=C3)C.[Cl-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC=C(C=C3)C.[Cl-]

InChI

InChI=1S/C18H18NO3S.ClH/c1-3-19-13-12-18(16-6-4-5-7-17(16)19)22-23(20,21)15-10-8-14(2)9-11-15;/h4-13H,3H2,1-2H3;1H/q+1;/p-1