1-[(4-methylsulfanylphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(2-naphthylmethyl)piperazine-1,4-diium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(2-naphthalenylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-[4-(methylthio)benzyl]-4-(2-naphthylmethyl)piperazine-1,4-diium Formula: C23H28N2S+2 MolecularWeight: 364.54682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H26N2S/c1-26-23-10-7-19(8-11-23)17-24-12-14-25(15-13-24)18-20-6-9-21-4-2-3-5-22(21)16-20/h2-11,16H,12-15,17-18H2,1H3/p+2