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

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-3-17-29-22-12-8-5-9-19(22)24-23(27)18-25-13-15-26(16-14-25)20-10-6-7-11-21(20)28-4-2/h3,5-12H,1,4,13-18H2,2H3,(H,24,27)/p+1