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

Systemtic Name: 2,7,7-trimethyl-1-(pyridin-4-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Openeye Name: 2,7,7-trimethyl-1-(4-pyridylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one CAS Name: 2,7,7-trimethyl-1-(pyridin-4-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one IUPAC Name: 2,7,7-trimethyl-1-(pyridin-4-ylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Traditional Name: 2,7,7-trimethyl-1-(4-pyridylmethyl)-4,4-bis(trifluoromethyl)-6,8-dihydro-3H-quinazolin-1-ium-5-one Formula: C19H20F6N3O+ MolecularWeight: 420.372019

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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=NC=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=NC=C3

InChI

InChI=1S/C19H19F6N3O/c1-11-27-17(18(20,21)22,19(23,24)25)15-13(8-16(2,3)9-14(15)29)28(11)10-12-4-6-26-7-5-12/h4-7H,8-10H2,1-3H3/p+1