methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium Traditional Name: [2-keto-2-[2-(2-thienyl)ethylamino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H23N2OS2+ MolecularWeight: 335.50732

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCCC2=CC=CS2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C17H22N2OS2/c1-19(12-14-5-7-15(21-2)8-6-14)13-17(20)18-10-9-16-4-3-11-22-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,18,20)/p+1