N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-carbothioamide Formula: C16H23F3N3OS+ MolecularWeight: 362.43353

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H22F3N3OS/c1-23-11-6-20-15(24)22-9-7-21(8-10-22)12-13-2-4-14(5-3-13)16(17,18)19/h2-5H,6-12H2,1H3,(H,20,24)/p+1