(2-methyl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (2-methyl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (2-methyl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-3-nitrophenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (2-methyl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C18H18F3N4O3+ MolecularWeight: 395.35573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O3/c1-12-14(3-2-4-15(12)25(27)28)17(26)24-9-7-23(8-10-24)16-6-5-13(11-22-16)18(19,20)21/h2-6,11H,7-10H2,1H3/p+1