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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-prop-2-enyl-piperidine-4-carboxamide Openeye Name: N-allyl-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-prop-2-enyl-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-prop-2-enylpiperidine-4-carboxamide Traditional Name: N-allyl-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C15H18ClF3N3O+ MolecularWeight: 348.77113

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C=CCNC(=O)C1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C15H17ClF3N3O/c1-2-5-20-14(23)10-3-6-22(7-4-10)13-12(16)8-11(9-21-13)15(17,18)19/h2,8-10H,1,3-7H2,(H,20,23)/p+1