2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-methyl-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[4-(methylthio)benzyl]acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H29N3O2S/c1-18(27)20-6-8-21(9-7-20)26-14-12-25(13-15-26)17-23(28)24(2)16-19-4-10-22(29-3)11-5-19/h4-11H,12-17H2,1-3H3/p+1