(4-methylsulfanylphenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (4-methylsulfanylphenyl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: [4-(methylthio)phenyl]methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (4-methylsulfanylphenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [4-(methylthio)benzyl]-phenethyl-(4-pyridylmethyl)ammonium Formula: C22H25N2S+ MolecularWeight: 349.5123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3

InChI

InChI=1S/C22H24N2S/c1-25-22-9-7-20(8-10-22)17-24(18-21-11-14-23-15-12-21)16-13-19-5-3-2-4-6-19/h2-12,14-15H,13,16-18H2,1H3/p+1