N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]-piperonylamide Formula: C19H19F3N3O3+ MolecularWeight: 394.36767

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18F3N3O3/c20-19(21,22)13-4-6-17(23-9-13)25-7-1-2-14(10-25)24-18(26)12-3-5-15-16(8-12)28-11-27-15/h3-6,8-9,14H,1-2,7,10-11H2,(H,24,26)/p+1/t14-/m0/s1