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

Systemtic Name: 8-fluoranyl-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 8-fluoro-3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one CAS Name: 8-fluoro-3-[2-[(2S)-1-propan-2-yl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 8-fluoro-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 8-fluoro-3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Formula: C18H25FN3O+ MolecularWeight: 318.409003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24FN3O/c1-13(2)22-10-4-3-6-14(22)9-11-21-12-20-17-15(18(21)23)7-5-8-16(17)19/h5,7-8,12-14H,3-4,6,9-11H2,1-2H3/p+1/t14-/m0/s1