methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]azanium Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]ammonium IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[2-(benzylthio)ethylamino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H27N2OS2+ MolecularWeight: 375.57118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2OS2/c1-22(14-17-8-10-19(24-2)11-9-17)15-20(23)21-12-13-25-16-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,21,23)/p+1