(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-[2,2,2-tris(fluoranyl)ethoxymethyl]phenyl]methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-[2,2,2-tris(fluoranyl)ethoxymethyl]phenyl]methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone Formula: C19H21F3N3O2+ MolecularWeight: 380.38415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)COCC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)COCC(F)(F)F

InChI

InChI=1S/C19H20F3N3O2/c20-19(21,22)14-27-13-15-4-6-16(7-5-15)18(26)25-11-9-24(10-12-25)17-3-1-2-8-23-17/h1-8H,9-14H2/p+1