dimethyl-[[4-[(2-phenylsulfanylethanoylamino)methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[(2-phenylsulfanylethanoylamino)methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[(2-phenylsulfanylacetyl)amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[(2-phenylsulfanylacetyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[[2-(phenylthio)acetyl]amino]methyl]benzyl]ammonium Formula: C18H23N2OS+ MolecularWeight: 315.45302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C18H22N2OS/c1-20(2)13-16-10-8-15(9-11-16)12-19-18(21)14-22-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,19,21)/p+1