4-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-fluorophenyl)methyl]-N-(p-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-fluorobenzyl)-N-(4-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H25FN3S+ MolecularWeight: 358.496003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3S/c1-16-5-7-17(8-6-16)14-22-20(25)24-11-9-23(10-12-24)15-18-3-2-4-19(21)13-18/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+1