N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]ethanamide

Systemtic Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]ethanamide Openeye Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]acetamide CAS Name: N-[6-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-3-pyridin-1-iumyl]acetamide IUPAC Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]acetamide Traditional Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]pyridin-1-ium-3-yl]acetamide Formula: C17H20F3N5O+2 MolecularWeight: 367.36881

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C[NH+]=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=C[NH+]=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N5O/c1-12(26)23-14-3-5-16(22-11-14)25-8-6-24(7-9-25)15-4-2-13(10-21-15)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,23,26)/p+2