2-[3,5-bis(trifluoromethyl)phenyl]-6-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(1-pyrrolidin-1-iumylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrimidin-4-one Formula: C17H16F6N3O+ MolecularWeight: 392.318859

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC(=O)N=C(N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC(=O)N=C(N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H15F6N3O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-24-13(8-14(27)25-15)9-26-3-1-2-4-26/h5-8H,1-4,9H2,(H,24,25,27)/p+1