N-(4-fluorophenyl)-2-[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[2-(m-tolylmethylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[2-[(3-methylphenyl)methylthio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-[(3-methylbenzyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O2S/c1-17-3-2-4-18(13-17)15-29-16-22(28)26-11-9-25(10-12-26)14-21(27)24-20-7-5-19(23)6-8-20/h2-8,13H,9-12,14-16H2,1H3,(H,24,27)/p+1