N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C16H22F3N4O3+ MolecularWeight: 375.36609

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H21F3N4O3/c17-16(18,19)12-4-5-13(14(10-12)23(25)26)20-6-3-7-21-15(24)11-22-8-1-2-9-22/h4-5,10,20H,1-3,6-9,11H2,(H,21,24)/p+1