4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C20H24ClFN3S+ MolecularWeight: 392.941063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H23ClFN3S/c21-19-14-18(22)7-6-17(19)15-24-10-12-25(13-11-24)20(26)23-9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,26)/p+1