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

Systemtic Name: 1-cycloheptyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-cycloheptyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-cycloheptyl-4-[[4-(methylthio)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-cycloheptyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-cycloheptyl-4-[4-(methylthio)benzyl]piperazine-1,4-diium Formula: C19H32N2S+2 MolecularWeight: 320.53578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C3CCCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C3CCCCCC3

InChI

InChI=1S/C19H30N2S/c1-22-19-10-8-17(9-11-19)16-20-12-14-21(15-13-20)18-6-4-2-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3/p+2