(2S)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: (2S)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: (2S)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: (2S)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: (2S)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: (2S)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionamide Formula: C21H22F3N6O4+ MolecularWeight: 479.43239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N6O4/c1-12(19(31)25-14-3-4-15-16(11-14)27-20(32)26-15)28-6-8-29(9-7-28)17-5-2-13(21(22,23)24)10-18(17)30(33)34/h2-5,10-12H,6-9H2,1H3,(H,25,31)(H2,26,27,32)/p+1/t12-/m0/s1