(Z)-[ethylamino(methylsulfanyl)methylidene]-propyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: (Z)-[ethylamino(methylsulfanyl)methylidene]-propyl-azanium; 4-methylbenzenesulfonate Openeye Name: (Z)-[ethylamino(methylsulfanyl)methylene]-propyl-ammonium; 4-methylbenzenesulfonate CAS Name: (Z)-[ethylamino-(methylthio)methylidene]-propylammonium; 4-methylbenzenesulfonate IUPAC Name: (Z)-[ethylamino(methylsulfanyl)methylidene]-propylazanium; 4-methylbenzenesulfonate Traditional Name: (Z)-[ethylamino-(methylthio)methylene]-propyl-ammonium tosylate Formula: C14H24N2O3S2 MolecularWeight: 332.48196

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]=C(NCC)SC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC/[NH+]=C(/NCC)\SC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H16N2S.C7H8O3S/c1-4-6-9-7(10-3)8-5-2;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H2,1-3H3,(H,8,9);2-5H,1H3,(H,8,9,10)