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

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium Openeye Name: (2-anilino-2-oxo-ethyl)-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (2-anilino-2-oxoethyl)-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (2-anilino-2-oxoethyl)-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (2-anilino-2-keto-ethyl)-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H21N2OS+ MolecularWeight: 301.42644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H20N2OS/c1-19(12-14-8-10-16(21-2)11-9-14)13-17(20)18-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,18,20)/p+1