1-[4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c1-16(26)17-7-9-19(10-8-17)25-13-11-24(12-14-25)15-20-22-21(23-27-20)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3/p+1