N'-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-quinoxalin-2-yl-ethane-1,2-diamine

Systemtic Name: N'-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-quinoxalin-2-yl-ethane-1,2-diamine Openeye Name: N'-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-quinoxalin-2-yl-ethane-1,2-diamine CAS Name: N'-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(2-quinoxalinyl)ethane-1,2-diamine IUPAC Name: N'-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-quinoxalin-2-ylethane-1,2-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-[2-(quinoxalin-2-ylamino)ethyl]amine Formula: C16H14ClF3N5+ MolecularWeight: 368.76407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClF3N5/c17-11-7-10(16(18,19)20)8-24-15(11)22-6-5-21-14-9-23-12-3-1-2-4-13(12)25-14/h1-4,7-9H,5-6H2,(H,21,25)(H,22,24)/p+1