N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[4-(4-methyl-1-piperazin-1-iumyl)butyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: 4-(4-methylpiperazin-1-ium-1-yl)butyl-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C18H25F3N5+ MolecularWeight: 368.41981

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCCCNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CN1CC[NH+](CC1)CCCCNC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H24F3N5/c1-25-10-12-26(13-11-25)9-5-4-8-22-16-14-6-2-3-7-15(14)23-17(24-16)18(19,20)21/h2-3,6-7H,4-5,8-13H2,1H3,(H,22,23,24)/p+1