2,7,7-trimethyl-1-(phenylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one

Systemtic Name: 2,7,7-trimethyl-1-(phenylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Openeye Name: 1-benzyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one CAS Name: 2,7,7-trimethyl-1-(phenylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one IUPAC Name: 1-benzyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Traditional Name: 1-benzyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Formula: C20H21F6N2O+ MolecularWeight: 419.383959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C(=O)CC(C2)(C)C)C(N1)(C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CC1=[N+](C2=C(C(=O)CC(C2)(C)C)C(N1)(C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H20F6N2O/c1-12-27-18(19(21,22)23,20(24,25)26)16-14(9-17(2,3)10-15(16)29)28(12)11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3/p+1