(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C24H22F3N2O3+ MolecularWeight: 443.43829

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=CC3=CC=CC=C32)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=CC3=CC=CC=C32)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H21F3N2O3/c25-24(26,27)18-8-9-22(28-14-18)29-12-10-17(11-13-29)23(31)32-15-21(30)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14,17H,10-13,15H2/p+1