1-[2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]ethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]acetyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H25F3N5O3S+ MolecularWeight: 448.48301

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CSC3=NC(=O)C=C(N3)C(F)(F)F)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CSC3=NC(=O)C=C(N3)C(F)(F)F)C(=O)N

InChI

InChI=1S/C18H24F3N5O3S/c19-18(20,21)12-10-13(27)24-16(23-12)30-11-14(28)25-8-4-17(5-9-25,15(22)29)26-6-2-1-3-7-26/h10H,1-9,11H2,(H2,22,29)(H,23,24,27)/p+1