(2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionamide Formula: C16H22F3N4O3+ MolecularWeight: 375.36609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N4O3/c1-3-20-15(24)11(2)21-6-8-22(9-7-21)13-5-4-12(16(17,18)19)10-14(13)23(25)26/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,24)/p+1/t11-/m0/s1