N-pyridin-1-ium-2-yl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine

Systemtic Name: N-pyridin-1-ium-2-yl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine Openeye Name: N-pyridin-1-ium-2-yl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine CAS Name: N-(2-pyridin-1-iumyl)-N'-[2-(trifluoromethyl)-4-quinazolinyl]ethane-1,2-diamine IUPAC Name: N-pyridin-1-ium-2-yl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine Traditional Name: pyridin-1-ium-2-yl-[2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]ethyl]amine Formula: C16H15F3N5+ MolecularWeight: 334.31901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCNC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCNC3=CC=CC=[NH+]3

InChI

InChI=1S/C16H14F3N5/c17-16(18,19)15-23-12-6-2-1-5-11(12)14(24-15)22-10-9-21-13-7-3-4-8-20-13/h1-8H,9-10H2,(H,20,21)(H,22,23,24)/p+1