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

Systemtic Name: 3-[2-(1-ethylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-[2-(1-ethylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one CAS Name: 3-[2-(1-ethyl-4-piperidin-1-iumyl)ethyl]-7-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-[2-(1-ethylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-[2-(1-ethylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one Formula: C18H23F3N3O+ MolecularWeight: 354.38993

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)CCN2C=NC3=C(C2=O)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCC(CC1)CCN2C=NC3=C(C2=O)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H22F3N3O/c1-2-23-8-5-13(6-9-23)7-10-24-12-22-16-11-14(18(19,20)21)3-4-15(16)17(24)25/h3-4,11-13H,2,5-10H2,1H3/p+1