6,7-dimethoxy-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 6,7-dimethoxy-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 6,7-dimethoxy-N-[4-(4-methyl-1-piperazin-1-iumyl)butyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]-[4-(4-methylpiperazin-1-ium-1-yl)butyl]amine Formula: C20H29F3N5O2+ MolecularWeight: 428.47177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28F3N5O2/c1-27-8-10-28(11-9-27)7-5-4-6-24-18-14-12-16(29-2)17(30-3)13-15(14)25-19(26-18)20(21,22)23/h12-13H,4-11H2,1-3H3,(H,24,25,26)/p+1