7-methoxy-N-[4-(4-methylpiperazine-1,4-diium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: 7-methoxy-N-[4-(4-methylpiperazine-1,4-diium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 7-methoxy-N-[4-(4-methylpiperazine-1,4-diium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 7-methoxy-N-[4-(4-methyl-1-piperazine-1,4-diiumyl)butyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 7-methoxy-N-[4-(4-methylpiperazine-1,4-diium-1-yl)butyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]-[4-(4-methylpiperazine-1,4-diium-1-yl)butyl]amine Formula: C19H28F3N5O+2 MolecularWeight: 399.45373

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCNC2=NC(=NC3=C2C=CC(=C3)OC)C(F)(F)F

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCNC2=NC(=NC3=C2C=CC(=C3)OC)C(F)(F)F

InChI

InChI=1S/C19H26F3N5O/c1-26-9-11-27(12-10-26)8-4-3-7-23-17-15-6-5-14(28-2)13-16(15)24-18(25-17)19(20,21)22/h5-6,13H,3-4,7-12H2,1-2H3,(H,23,24,25)/p+2