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

Systemtic Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C19H20F3N4S+ MolecularWeight: 393.44911

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C19H19F3N4S/c20-19(21,22)18-24-14-7-2-1-6-13(14)17(25-18)23-12-15(16-8-5-11-27-16)26-9-3-4-10-26/h1-2,5-8,11,15H,3-4,9-10,12H2,(H,23,24,25)/p+1/t15-/m1/s1