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

Systemtic Name: 3-[2-(1-cyclopentylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-[2-(1-cyclopentylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one CAS Name: 3-[2-(1-cyclopentyl-4-piperidin-1-iumyl)ethyl]-7-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-[2-(1-cyclopentylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-[2-(1-cyclopentylpiperidin-1-ium-4-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+]2CCC(CC2)CCN3C=NC4=C(C3=O)C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)CCN3C=NC4=C(C3=O)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H26F3N3O/c22-21(23,24)16-5-6-18-19(13-16)25-14-27(20(18)28)12-9-15-7-10-26(11-8-15)17-3-1-2-4-17/h5-6,13-15,17H,1-4,7-12H2/p+1