1-[(4-methylsulfanylphenyl)methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C19H25N2S+ MolecularWeight: 313.4802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N2S/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3/p+1