1-[(4-methylsulfanylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[4-(methylthio)benzyl]-4-(3-phenoxybenzyl)piperazine-1,4-diium Formula: C25H30N2OS+2 MolecularWeight: 406.5835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N2OS/c1-29-25-12-10-21(11-13-25)19-26-14-16-27(17-15-26)20-22-6-5-9-24(18-22)28-23-7-3-2-4-8-23/h2-13,18H,14-17,19-20H2,1H3/p+2