N-cyclopropyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C18H21F3N5O+ MolecularWeight: 380.38745

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C18H20F3N5O/c19-18(20,21)17-23-14-4-2-1-3-13(14)16(24-17)26-9-7-25(8-10-26)11-15(27)22-12-5-6-12/h1-4,12H,5-11H2,(H,22,27)/p+1