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

Systemtic Name: 4-[(4-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(p-tolylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-methylbenzyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C20H23F3N3S+ MolecularWeight: 394.47693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3N3S/c1-15-5-7-16(8-6-15)14-25-9-11-26(12-10-25)19(27)24-18-4-2-3-17(13-18)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,24,27)/p+1