3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-7-(trifluoromethyl)quinazolin-4-one

Systemtic Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-7-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-7-(trifluoromethyl)quinazolin-4-one CAS Name: 3-[2-[(2R)-1-cyclopentyl-2-piperidin-1-iumyl]ethyl]-7-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-7-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-[2-[(2R)-1-cyclopentylpiperidin-1-ium-2-yl]ethyl]-7-(trifluoromethyl)quinazolin-4-one Formula: C21H27F3N3O+ MolecularWeight: 394.45379

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCCCC2CCN3C=NC4=C(C3=O)C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CC[NH+]([C@H](C1)CCN2C=NC3=C(C2=O)C=CC(=C3)C(F)(F)F)C4CCCC4

InChI

InChI=1S/C21H26F3N3O/c22-21(23,24)15-8-9-18-19(13-15)25-14-26(20(18)28)12-10-17-7-3-4-11-27(17)16-5-1-2-6-16/h8-9,13-14,16-17H,1-7,10-12H2/p+1/t17-/m1/s1