1-(2-fluorophenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]piperazin-4-ium Formula: C23H32FN3S+2 MolecularWeight: 401.583683

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H30FN3S/c1-28-21-8-6-19(7-9-21)18-25-12-10-20(11-13-25)26-14-16-27(17-15-26)23-5-3-2-4-22(23)24/h2-9,20H,10-18H2,1H3/p+2