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

Systemtic Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]thiophene-3-carboxamide Openeye Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]thiophene-3-carboxamide CAS Name: N-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]-3-thiophenecarboxamide IUPAC Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]thiophene-3-carboxamide Traditional Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]thiophene-3-carboxamide Formula: C16H17F3N3OS+ MolecularWeight: 356.38589

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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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N3OS/c17-16(18,19)12-3-4-14(20-8-12)22-6-1-2-13(9-22)21-15(23)11-5-7-24-10-11/h3-5,7-8,10,13H,1-2,6,9H2,(H,21,23)/p+1/t13-/m0/s1