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

Systemtic Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C16H19F3N5O5+ MolecularWeight: 418.34777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N5O5/c1-2-3-20-14(25)10-21-4-6-22(7-5-21)15-12(23(26)27)8-11(16(17,18)19)9-13(15)24(28)29/h2,8-9H,1,3-7,10H2,(H,20,25)/p+1