3-(6-fluoranylhexadecyl)-1H-pyrimidin-3-ium-2-one

Systemtic Name: 3-(6-fluoranylhexadecyl)-1H-pyrimidin-3-ium-2-one Openeye Name: 3-(6-fluorohexadecyl)-1H-pyrimidin-3-ium-2-one CAS Name: 3-(6-fluorohexadecyl)-1H-pyrimidin-3-ium-2-one IUPAC Name: 3-(6-fluorohexadecyl)-1H-pyrimidin-3-ium-2-one Traditional Name: 3-(6-fluorohexadecyl)-1H-pyrimidin-3-ium-2-one Formula: C20H36FN2O+ MolecularWeight: 339.511043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCC[N+]1=CC=CNC1=O)F

Isomeric SMILES

CCCCCCCCCCC(CCCCC[N+]1=CC=CNC1=O)F

InChI

InChI=1S/C20H35FN2O/c1-2-3-4-5-6-7-8-10-14-19(21)15-11-9-12-17-23-18-13-16-22-20(23)24/h13,16,18-19H,2-12,14-15,17H2,1H3/p+1