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

Systemtic Name: 1-butyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Openeye Name: 1-butyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one CAS Name: 1-butyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one IUPAC Name: 1-butyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Traditional Name: 1-butyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Formula: C17H23F6N2O+ MolecularWeight: 385.367739

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(NC(C2=C1CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CCCC[N+]1=C(NC(C2=C1CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C17H22F6N2O/c1-5-6-7-25-10(2)24-15(16(18,19)20,17(21,22)23)13-11(25)8-14(3,4)9-12(13)26/h5-9H2,1-4H3/p+1