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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C20H28F3N5O+2 MolecularWeight: 411.46443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F)C3(CCCCC3)C#N

InChI

InChI=1S/C20H26F3N5O/c1-26(19(15-24)7-3-2-4-8-19)18(29)14-27-9-11-28(12-10-27)17-6-5-16(13-25-17)20(21,22)23/h5-6,13H,2-4,7-12,14H2,1H3/p+2