4-(phenylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(phenylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(phenylmethyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Formula: C19H21F3N3O+ MolecularWeight: 364.38475

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O/c20-19(21,22)16-7-4-8-17(13-16)23-18(26)25-11-9-24(10-12-25)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,23,26)/p+1