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

Systemtic Name: 7-chloranyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]quinolin-1-ium Formula: C20H17ClF3N4O2+ MolecularWeight: 437.82279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C20H16ClF3N4O2/c21-14-2-3-15-16(12-14)25-6-5-17(15)26-7-9-27(10-8-26)18-4-1-13(20(22,23)24)11-19(18)28(29)30/h1-6,11-12H,7-10H2/p+1