N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]-4-(trifluoromethyloxy)benzamide

Systemtic Name: N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]-4-(trifluoromethyloxy)benzamide Openeye Name: N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]-4-(trifluoromethoxy)benzamide CAS Name: N-[2-(1-piperidin-1-iumylmethyl)-4-quinazolinyl]-4-(trifluoromethoxy)benzamide IUPAC Name: N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]-4-(trifluoromethoxy)benzamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-yl]-4-(trifluoromethoxy)benzamide Formula: C22H22F3N4O2+ MolecularWeight: 431.43089

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H21F3N4O2/c23-22(24,25)31-16-10-8-15(9-11-16)21(30)28-20-17-6-2-3-7-18(17)26-19(27-20)14-29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-14H2,(H,26,27,28,30)/p+1