4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperazine-1-carboxamide CAS Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]piperazine-1-carboxamide Formula: C22H26F3N6O3+ MolecularWeight: 479.47545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H25F3N6O3/c23-22(24,25)17-3-4-18(19(14-17)31(33)34)28-9-11-30(12-10-28)21(32)27-15-16-5-6-26-20(13-16)29-7-1-2-8-29/h3-6,13-14H,1-2,7-12,15H2,(H,27,32)/p+1