N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C23H35F3N4O2+2 MolecularWeight: 456.54481

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)[NH+]4CCOCC4

InChI

InChI=1S/C23H33F3N4O2/c24-23(25,26)19-4-5-20(27-16-19)29-10-6-18(7-11-29)21(31)28-17-22(8-2-1-3-9-22)30-12-14-32-15-13-30/h4-5,16,18H,1-3,6-15,17H2,(H,28,31)/p+2