2-(piperidin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-(1-piperidin-1-iumylmethyl)-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C21H21F3N3O+ MolecularWeight: 388.40615

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O/c22-21(23,24)15-7-6-8-16(13-15)27-19(14-26-11-4-1-5-12-26)25-18-10-3-2-9-17(18)20(27)28/h2-3,6-10,13H,1,4-5,11-12,14H2/p+1