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

Systemtic Name: [1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl] 4-methoxybenzoate Openeye Name: [1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl] ester Formula: C19H19ClF3N2O3+ MolecularWeight: 415.81397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C19H18ClF3N2O3/c1-27-14-4-2-12(3-5-14)18(26)28-15-6-8-25(9-7-15)17-16(20)10-13(11-24-17)19(21,22)23/h2-5,10-11,15H,6-9H2,1H3/p+1