N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C21H22F3N4+ MolecularWeight: 387.42139

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H21F3N4/c22-21(23,24)20-26-18-10-4-3-9-17(18)19(27-20)25-13-15-7-1-2-8-16(15)14-28-11-5-6-12-28/h1-4,7-10H,5-6,11-14H2,(H,25,26,27)/p+1