N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C20H23F3N5S+ MolecularWeight: 422.49033

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C20H22F3N5S/c1-27-8-10-28(11-9-27)16(17-7-4-12-29-17)13-24-18-14-5-2-3-6-15(14)25-19(26-18)20(21,22)23/h2-7,12,16H,8-11,13H2,1H3,(H,24,25,26)/p+1/t16-/m1/s1