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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3OS/c1-25-19-8-4-17(5-9-19)15-23-10-12-24(13-11-23)20(26)22-14-16-2-6-18(21)7-3-16/h2-9H,10-15H2,1H3,(H,22,26)/p+1