methyl-[(4-methylsulfanylphenyl)methyl]-[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium Openeye Name: methyl-[(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H23N2OS2+ MolecularWeight: 335.50732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H22N2OS2/c1-13(17(20)18-11-16-5-4-10-22-16)19(2)12-14-6-8-15(21-3)9-7-14/h4-10,13H,11-12H2,1-3H3,(H,18,20)/p+1/t13-/m1/s1