N3-[4-(4-methylpiperazin-1-ium-1-yl)phenyl]-5-(trifluoromethyl)pyridine-2,3-diamine

Systemtic Name: N3-[4-(4-methylpiperazin-1-ium-1-yl)phenyl]-5-(trifluoromethyl)pyridine-2,3-diamine Openeye Name: N3-[4-(4-methylpiperazin-1-ium-1-yl)phenyl]-5-(trifluoromethyl)pyridine-2,3-diamine CAS Name: N3-[4-(4-methyl-1-piperazin-1-iumyl)phenyl]-5-(trifluoromethyl)pyridine-2,3-diamine IUPAC Name: 3-N-[4-(4-methylpiperazin-1-ium-1-yl)phenyl]-5-(trifluoromethyl)pyridine-2,3-diamine Traditional Name: [2-amino-5-(trifluoromethyl)-3-pyridyl]-[4-(4-methylpiperazin-1-ium-1-yl)phenyl]amine Formula: C17H21F3N5+ MolecularWeight: 352.37735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C2=CC=C(C=C2)NC3=C(N=CC(=C3)C(F)(F)F)N

Isomeric SMILES

CN1CC[NH+](CC1)C2=CC=C(C=C2)NC3=C(N=CC(=C3)C(F)(F)F)N

InChI

InChI=1S/C17H20F3N5/c1-24-6-8-25(9-7-24)14-4-2-13(3-5-14)23-15-10-12(17(18,19)20)11-22-16(15)21/h2-5,10-11,23H,6-9H2,1H3,(H2,21,22)/p+1