5-[[(2S)-1,4-dimethylpiperazin-1-ium-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[(2S)-1,4-dimethylpiperazin-1-ium-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[(2S)-1,4-dimethylpiperazin-1-ium-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[(2S)-1,4-dimethyl-2-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[(2S)-1,4-dimethylpiperazin-1-ium-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[(2S)-1,4-dimethylpiperazin-1-ium-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C15H21N4O+ MolecularWeight: 273.35344

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CC2=NC(=NO2)C3=CC=CC=C3)C

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CC2=NC(=NO2)C3=CC=CC=C3)C

InChI

InChI=1S/C15H20N4O/c1-18-8-9-19(2)13(11-18)10-14-16-15(17-20-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/p+1/t13-/m0/s1