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

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(isobutylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(isobutylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C17H26F3N5O2+2 MolecularWeight: 389.41585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H24F3N5O2/c1-12(2)9-22-16(27)23-15(26)11-24-5-7-25(8-6-24)14-4-3-13(10-21-14)17(18,19)20/h3-4,10,12H,5-9,11H2,1-2H3,(H2,22,23,26,27)/p+2