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

Systemtic Name: 6-bromanyl-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 6-bromo-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 6-bromo-N-[4-(4-methyl-1-piperazin-1-iumyl)butyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 6-bromo-N-[4-(4-methylpiperazin-1-ium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-[4-(4-methylpiperazin-1-ium-1-yl)butyl]amine Formula: C18H24BrF3N5+ MolecularWeight: 447.31587

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCCCNC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

CN1CC[NH+](CC1)CCCCNC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C18H23BrF3N5/c1-26-8-10-27(11-9-26)7-3-2-6-23-16-14-12-13(19)4-5-15(14)24-17(25-16)18(20,21)22/h4-5,12H,2-3,6-11H2,1H3,(H,23,24,25)/p+1