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

Systemtic Name: 4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-fluoro-2-methoxy-phenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(4-fluorophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(5-fluoro-2-methoxy-benzyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Formula: C19H22F2N3OS+ MolecularWeight: 378.459286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21F2N3OS/c1-25-18-7-4-16(21)12-14(18)13-23-8-10-24(11-9-23)19(26)22-17-5-2-15(20)3-6-17/h2-7,12H,8-11,13H2,1H3,(H,22,26)/p+1