2-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C16H19ClF3N4O3+ MolecularWeight: 407.79527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClF3N4O3/c1-2-3-21-15(25)10-22-4-6-23(7-5-22)13-9-12(17)11(16(18,19)20)8-14(13)24(26)27/h2,8-9H,1,3-7,10H2,(H,21,25)/p+1