8-fluoranyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one

Systemtic Name: 8-fluoranyl-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 8-fluoro-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one CAS Name: 8-fluoro-3-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 8-fluoro-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 8-fluoro-3-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Formula: C16H21FN3O+ MolecularWeight: 290.355843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCN2C=NC3=C(C2=O)C=CC=C3F

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCN2C=NC3=C(C2=O)C=CC=C3F

InChI

InChI=1S/C16H20FN3O/c1-19-9-3-2-5-12(19)8-10-20-11-18-15-13(16(20)21)6-4-7-14(15)17/h4,6-7,11-12H,2-3,5,8-10H2,1H3/p+1/t12-/m0/s1