3-methoxy-N-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]benzamide

Systemtic Name: 3-methoxy-N-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]benzamide Openeye Name: 3-methoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]benzamide CAS Name: 3-methoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethyl]benzamide IUPAC Name: 3-methoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]benzamide Traditional Name: N-[2-keto-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethyl]-3-methoxy-benzamide Formula: C20H22F3N4O3+ MolecularWeight: 423.40889

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O3/c1-30-16-4-2-3-14(11-16)19(29)25-13-18(28)27-9-7-26(8-10-27)17-6-5-15(12-24-17)20(21,22)23/h2-6,11-12H,7-10,13H2,1H3,(H,25,29)/p+1