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

Systemtic Name: N-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-fluorophenyl)-4-(m-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-4-(3-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C19H23FN3S+ MolecularWeight: 344.469423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)F

InChI

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