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

Systemtic Name: 3-[2-(1-methylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-[2-(1-methylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one CAS Name: 3-[2-(1-methyl-4-piperidin-1-iumyl)ethyl]-7-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-[2-(1-methylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-[2-(1-methylpiperidin-1-ium-4-yl)ethyl]-7-(trifluoromethyl)quinazolin-4-one Formula: C17H21F3N3O+ MolecularWeight: 340.36335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F3N3O/c1-22-7-4-12(5-8-22)6-9-23-11-21-15-10-13(17(18,19)20)2-3-14(15)16(23)24/h2-3,10-12H,4-9H2,1H3/p+1