N-(3-fluoranyl-4-methyl-phenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H25FN3S+ MolecularWeight: 358.496003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3C)F

InChI

InChI=1S/C20H24FN3S/c1-15-5-3-4-6-17(15)14-23-9-11-24(12-10-23)20(25)22-18-8-7-16(2)19(21)13-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1