4-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-fluorobenzyl)-N-(4-fluorobenzyl)piperazin-4-ium-1-carbothioamide Formula: C19H22F2N3S+ MolecularWeight: 362.459886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21F2N3S/c20-17-7-5-15(6-8-17)13-22-19(25)24-11-9-23(10-12-24)14-16-3-1-2-4-18(16)21/h1-8H,9-14H2,(H,22,25)/p+1