ethyl-dimethyl-[[2-(phenylmethylsulfanyl)phenyl]methyl]azanium; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl-dimethyl-[[2-(phenylmethylsulfanyl)phenyl]methyl]azanium; 4-methylbenzenesulfonic acid Openeye Name: (2-benzylsulfanylphenyl)methyl-ethyl-dimethyl-ammonium; 4-methylbenzenesulfonic acid CAS Name: ethyl-dimethyl-[[2-(phenylmethylthio)phenyl]methyl]ammonium; 4-methylbenzenesulfonic acid IUPAC Name: (2-benzylsulfanylphenyl)methyl-ethyl-dimethylazanium; 4-methylbenzenesulfonic acid Traditional Name: [2-(benzylthio)benzyl]-ethyl-dimethyl-ammonium; tosylic acid Formula: C25H32NO3S2+ MolecularWeight: 458.65648

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CC1=CC=CC=C1SCC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[N+](C)(C)CC1=CC=CC=C1SCC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H24NS.C7H8O3S/c1-4-19(2,3)14-17-12-8-9-13-18(17)20-15-16-10-6-5-7-11-16;1-6-2-4-7(5-3-6)11(8,9)10/h5-13H,4,14-15H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;