4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-fluoro-2-methoxy-phenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-carbothioamide Formula: C20H24F2N3OS+ MolecularWeight: 392.485866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23F2N3OS/c1-26-19-7-6-18(22)12-16(19)14-24-8-10-25(11-9-24)20(27)23-13-15-2-4-17(21)5-3-15/h2-7,12H,8-11,13-14H2,1H3,(H,23,27)/p+1