1-[(3,5-dimethylphenyl)methyl]-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-4-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-[(3,5-dimethylphenyl)methyl]-4-[[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-2-one Traditional Name: 1-(3,5-dimethylbenzyl)-4-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2CC[NH+](CC2=O)CC3=NC(=NO3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2CC[NH+](CC2=O)CC3=NC(=NO3)C4=CC=CC=N4)C

InChI

InChI=1S/C21H23N5O2/c1-15-9-16(2)11-17(10-15)12-26-8-7-25(14-20(26)27)13-19-23-21(24-28-19)18-5-3-4-6-22-18/h3-6,9-11H,7-8,12-14H2,1-2H3/p+1