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

Systemtic Name: [1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl] 4-chloranylbenzoate Openeye Name: [1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl] ester Formula: C18H16Cl2F3N2O2+ MolecularWeight: 420.23305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2F3N2O2/c19-13-3-1-11(2-4-13)17(26)27-14-5-7-25(8-6-14)16-15(20)9-12(10-24-16)18(21,22)23/h1-4,9-10,14H,5-8H2/p+1