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

Systemtic Name: N-pyridin-1-ium-2-yl-N'-[2-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine Openeye Name: N-pyridin-1-ium-2-yl-N'-[2-(trifluoromethyl)-4-quinolyl]ethane-1,2-diamine CAS Name: N-(2-pyridin-1-iumyl)-N'-[2-(trifluoromethyl)-4-quinolinyl]ethane-1,2-diamine IUPAC Name: N-pyridin-1-ium-2-yl-N'-[2-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine Traditional Name: pyridin-1-ium-2-yl-[2-[[2-(trifluoromethyl)-4-quinolyl]amino]ethyl]amine Formula: C17H16F3N4+ MolecularWeight: 333.33095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N4/c18-17(19,20)15-11-14(12-5-1-2-6-13(12)24-15)21-9-10-23-16-7-3-4-8-22-16/h1-8,11H,9-10H2,(H,21,24)(H,22,23)/p+1