1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H24F3N4O3+ MolecularWeight: 401.40337

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C18H23F3N4O3/c19-18(20,21)13-4-5-14(15(12-13)25(27)28)23-10-6-17(7-11-23,16(22)26)24-8-2-1-3-9-24/h4-5,12H,1-3,6-11H2,(H2,22,26)/p+1