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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[3-(p-tolylsulfanyl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[3-[(4-methylphenyl)thio]-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[3-(p-tolylthio)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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