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

Systemtic Name: N-cyclopropyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-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:

C1CC1NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H18F3N5O5/c17-16(18,19)10-7-12(23(26)27)15(13(8-10)24(28)29)22-5-3-21(4-6-22)9-14(25)20-11-1-2-11/h7-8,11H,1-6,9H2,(H,20,25)/p+1