1-ethyl-2-ethylsulfanyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-2-ethylsulfanyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-2-ethylsulfanyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-ethyl-2-(ethylthio)quinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-2-ethylsulfanylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-2-(ethylthio)quinolin-1-ium tosylate Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16NS.C7H8O3S/c1-3-14-12-8-6-5-7-11(12)9-10-13(14)15-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-10H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1