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

Systemtic Name: N-(2-methylpropyl)-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isobutyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylpropyl)-2-[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-isobutyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C19H25F3N5O+ MolecularWeight: 396.42991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H24F3N5O/c1-13(2)11-23-16(28)12-26-7-9-27(10-8-26)17-14-5-3-4-6-15(14)24-18(25-17)19(20,21)22/h3-6,13H,7-12H2,1-2H3,(H,23,28)/p+1