2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25ClN3OS+ MolecularWeight: 402.9607

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3OS/c1-2-14-27-20-9-4-3-8-19(20)23-21(26)16-24-10-12-25(13-11-24)18-7-5-6-17(22)15-18/h2-9,15H,1,10-14,16H2,(H,23,26)/p+1