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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)CC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O/c1-12-10-19(9-8-18(12)2)11-14-16-15(17-20-14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/p+1/t12-/m0/s1