N-(5-methyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-(5-methylisoxazol-3-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-(5-methyl-3-isoxazolyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-(5-methylisoxazol-3-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C15H17F3N5O2+ MolecularWeight: 356.32299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C15H16F3N5O2/c1-10-8-12(21-25-10)20-14(24)23-6-4-22(5-7-23)13-3-2-11(9-19-13)15(16,17)18/h2-3,8-9H,4-7H2,1H3,(H,20,21,24)/p+1