4-piperidin-1-ium-1-yl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: 4-piperidin-1-ium-1-yl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: 4-piperidin-1-ium-1-yl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: 4-(1-piperidin-1-iumyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 4-piperidin-1-ium-1-yl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C17H25F3N4O+2 MolecularWeight: 358.40181

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C(=O)N

InChI

InChI=1S/C17H23F3N4O/c18-17(19,20)13-4-5-14(22-12-13)23-10-6-16(7-11-23,15(21)25)24-8-2-1-3-9-24/h4-5,12H,1-3,6-11H2,(H2,21,25)/p+2