2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]-N-[2-(phenylthio)ethyl]acetamide Formula: C22H30FN3O2S+2 MolecularWeight: 419.555903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C22H28FN3O2S/c1-28-21-8-7-19(23)15-18(21)16-25-10-12-26(13-11-25)17-22(27)24-9-14-29-20-5-3-2-4-6-20/h2-8,15H,9-14,16-17H2,1H3,(H,24,27)/p+2