2-(pyrrolidin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-(1-pyrrolidin-1-iumylmethyl)-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C20H19F3N3O+ MolecularWeight: 374.37957

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O/c21-20(22,23)14-6-5-7-15(12-14)26-18(13-25-10-3-4-11-25)24-17-9-2-1-8-16(17)19(26)27/h1-2,5-9,12H,3-4,10-11,13H2/p+1