3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]-7-(trifluoromethyl)quinazolin-4-one

Systemtic Name: 3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]-7-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]-7-(trifluoromethyl)quinazolin-4-one CAS Name: 3-[2-[(2S)-1-propan-2-yl-2-piperidin-1-iumyl]ethyl]-7-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]-7-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]-7-(trifluoromethyl)quinazolin-4-one Formula: C19H25F3N3O+ MolecularWeight: 368.41651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCCC1CCN2C=NC3=C(C2=O)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)[NH+]1CCCC[C@H]1CCN2C=NC3=C(C2=O)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H24F3N3O/c1-13(2)25-9-4-3-5-15(25)8-10-24-12-23-17-11-14(19(20,21)22)6-7-16(17)18(24)26/h6-7,11-13,15H,3-5,8-10H2,1-2H3/p+1/t15-/m0/s1