1-ethyl-6-methyl-2-phenylsulfanyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-6-methyl-2-phenylsulfanyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-6-methyl-2-phenylsulfanyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-ethyl-6-methyl-2-(phenylthio)quinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-6-methyl-2-phenylsulfanylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-6-methyl-2-(phenylthio)quinolin-1-ium tosylate Formula: C25H25NO3S2 MolecularWeight: 451.6009

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=CC(=C2)C)SC3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)C)SC3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H18NS.C7H8O3S/c1-3-19-17-11-9-14(2)13-15(17)10-12-18(19)20-16-7-5-4-6-8-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1