1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-cycloheptyl-piperidine-4-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-cycloheptyl-piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-cycloheptyl-piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-cycloheptyl-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-cycloheptylpiperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-cycloheptyl-isonipecotamide Formula: C19H26ClF3N3O+ MolecularWeight: 404.87745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C19H25ClF3N3O/c20-16-11-14(19(21,22)23)12-24-17(16)26-9-7-13(8-10-26)18(27)25-15-5-3-1-2-4-6-15/h11-13,15H,1-10H2,(H,25,27)/p+1