diethyl-(heptylsulfanylmethyl)-methyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: diethyl-(heptylsulfanylmethyl)-methyl-azanium; 4-methylbenzenesulfonate Openeye Name: diethyl-(heptylsulfanylmethyl)-methyl-ammonium; 4-methylbenzenesulfonate CAS Name: diethyl-[(heptylthio)methyl]-methylammonium; 4-methylbenzenesulfonate IUPAC Name: diethyl-(heptylsulfanylmethyl)-methylazanium; 4-methylbenzenesulfonate Traditional Name: diethyl-[(heptylthio)methyl]-methyl-ammonium tosylate Formula: C20H37NO3S2 MolecularWeight: 403.64268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC[N+](C)(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCSC[N+](C)(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H30NS.C7H8O3S/c1-5-8-9-10-11-12-15-13-14(4,6-2)7-3;1-6-2-4-7(5-3-6)11(8,9)10/h5-13H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1