2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C22H27N3O2S/c1-3-16-28-21-11-7-4-8-18(21)23-22(26)17-24-12-14-25(15-13-24)19-9-5-6-10-20(19)27-2/h3-11H,1,12-17H2,2H3,(H,23,26)/p+1