6,7-bis(fluoranyl)-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one

Systemtic Name: 6,7-bis(fluoranyl)-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 6,7-difluoro-3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one CAS Name: 6,7-difluoro-3-[2-[(2S)-1-propan-2-yl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 6,7-difluoro-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 6,7-difluoro-3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Formula: C18H24F2N3O+ MolecularWeight: 336.399466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCCC1CCN2C=NC3=CC(=C(C=C3C2=O)F)F

Isomeric SMILES

CC(C)[NH+]1CCCC[C@H]1CCN2C=NC3=CC(=C(C=C3C2=O)F)F

InChI

InChI=1S/C18H23F2N3O/c1-12(2)23-7-4-3-5-13(23)6-8-22-11-21-17-10-16(20)15(19)9-14(17)18(22)24/h9-13H,3-8H2,1-2H3/p+1/t13-/m0/s1