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

Systemtic Name: N-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-fluorophenyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-fluorophenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-4-(2-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C19H23FN3S+ MolecularWeight: 344.469423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3S/c1-15-4-2-3-5-16(15)14-22-10-12-23(13-11-22)19(24)21-18-8-6-17(20)7-9-18/h2-9H,10-14H2,1H3,(H,21,24)/p+1