2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazine-1,4-diiumyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-[2-(methylthio)phenyl]acetamide Formula: C22H31N3O3S+2 MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H29N3O3S/c1-27-18-7-9-19(10-8-18)28-16-15-24-11-13-25(14-12-24)17-22(26)23-20-5-3-4-6-21(20)29-2/h3-10H,11-17H2,1-2H3,(H,23,26)/p+2