N-(4-ethanoylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-ethanoylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-(4-fluorobenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H23FN3OS+ MolecularWeight: 372.479523

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3OS/c1-15(25)17-4-8-19(9-5-17)22-20(26)24-12-10-23(11-13-24)14-16-2-6-18(21)7-3-16/h2-9H,10-14H2,1H3,(H,22,26)/p+1