N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H26N4O2S/c1-2-28-20-9-5-4-8-19(20)26-14-12-25(13-15-26)17-22(27)24-18-7-3-6-10-21(18)29-16-11-23/h3-10H,2,12-17H2,1H3,(H,24,27)/p+1