N-(3-fluorophenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-fluorophenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(3-fluorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-fluorophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(3-fluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(3-fluorophenyl)piperazin-4-ium-1-carbothioamide Formula: C18H21FN3S+ MolecularWeight: 330.442843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)F

InChI

InChI=1S/C18H20FN3S/c19-16-7-4-8-17(13-16)20-18(23)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,20,23)/p+1