2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-1-ium Openeye Name: 2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-1-ium CAS Name: 2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]quinolin-1-ium IUPAC Name: 2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-1-ium Traditional Name: 2-methyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]quinolin-1-ium Formula: C21H20F3N4O2+ MolecularWeight: 417.40431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F3N4O2/c1-14-12-19(16-4-2-3-5-17(16)25-14)27-10-8-26(9-11-27)18-7-6-15(21(22,23)24)13-20(18)28(29)30/h2-7,12-13H,8-11H2,1H3/p+1