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

Systemtic Name: N-butyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24F3N5O/c1-2-3-8-23-16(28)13-26-9-11-27(12-10-26)17-14-6-4-5-7-15(14)24-18(25-17)19(20,21)22/h4-7H,2-3,8-13H2,1H3,(H,23,28)/p+1