2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one CAS Name: 2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Formula: C22H23F3N3O+ MolecularWeight: 402.43273

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H22F3N3O/c23-22(24,25)17-6-7-18-19(13-17)26-20(27-21(18)29)14-28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,26,27,29)/p+1