N-butyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C17H23F3N5O5+ MolecularWeight: 434.39023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H22F3N5O5/c1-2-3-4-21-15(26)11-22-5-7-23(8-6-22)16-13(24(27)28)9-12(17(18,19)20)10-14(16)25(29)30/h9-10H,2-8,11H2,1H3,(H,21,26)/p+1