N-[2-(phenylmethyl)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[2-(phenylmethyl)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(2-benzylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[2-(phenylmethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(2-benzylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C25H25F3N3O+ MolecularWeight: 440.48071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H24F3N3O/c26-25(27,28)21-10-11-23(29-17-21)31-14-12-19(13-15-31)24(32)30-22-9-5-4-8-20(22)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2,(H,30,32)/p+1