1-pyrrolidin-1-yl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-pyrrolidinyl)-2-[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-pyrrolidino-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanone Formula: C19H23F3N5O+ MolecularWeight: 394.41403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C19H22F3N5O/c20-19(21,22)18-23-15-6-2-1-5-14(15)17(24-18)27-11-9-25(10-12-27)13-16(28)26-7-3-4-8-26/h1-2,5-6H,3-4,7-13H2/p+1