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

Systemtic Name: N-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-fluorobenzyl)-N-(2-fluorophenyl)piperazin-4-ium-1-carbothioamide Formula: C18H20F2N3S+ MolecularWeight: 348.433306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C18H19F2N3S/c19-15-6-2-1-5-14(15)13-22-9-11-23(12-10-22)18(24)21-17-8-4-3-7-16(17)20/h1-8H,9-13H2,(H,21,24)/p+1