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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C19H28F3N5O2+2 MolecularWeight: 415.45313

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H26F3N5O2/c20-19(21,22)14-6-7-16(23-12-14)27-10-8-26(9-11-27)13-17(28)25-18(29)24-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H2,24,25,28,29)/p+2