[1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl] benzoate

Systemtic Name: [1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl] benzoate Openeye Name: [1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl] benzoate CAS Name: benzoic acid [1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinyl] ester IUPAC Name: [1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl] benzoate Traditional Name: benzoic acid [1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl] ester Formula: C18H17ClF3N2O2+ MolecularWeight: 385.78799

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C2=CC=CC=C2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1OC(=O)C2=CC=CC=C2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C18H16ClF3N2O2/c19-15-10-13(18(20,21)22)11-23-16(15)24-8-6-14(7-9-24)26-17(25)12-4-2-1-3-5-12/h1-5,10-11,14H,6-9H2/p+1