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

Systemtic Name: 2-ethyl-7,7-dimethyl-1-(phenylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Openeye Name: 1-benzyl-2-ethyl-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one CAS Name: 2-ethyl-7,7-dimethyl-1-(phenylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one IUPAC Name: 1-benzyl-2-ethyl-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Traditional Name: 1-benzyl-2-ethyl-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Formula: C21H23F6N2O+ MolecularWeight: 433.410539

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[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

CCC1=[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/C21H22F6N2O/c1-4-16-28-19(20(22,23)24,21(25,26)27)17-14(10-18(2,3)11-15(17)30)29(16)12-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3/p+1