4-(naphthalen-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(naphthalen-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-naphthylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-naphthalenylmethyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(naphthalen-1-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-naphthylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C23H23F3N3S+ MolecularWeight: 430.50903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=S)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=S)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H22F3N3S/c24-23(25,26)19-8-4-9-20(15-19)27-22(30)29-13-11-28(12-14-29)16-18-7-3-6-17-5-1-2-10-21(17)18/h1-10,15H,11-14,16H2,(H,27,30)/p+1