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

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclohexyl-piperazin-4-ium-2-one Openeye Name: 4-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclohexyl-piperazin-4-ium-2-one CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclohexyl-2-piperazin-4-iumone IUPAC Name: 4-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclohexylpiperazin-4-ium-2-one Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclohexyl-piperazin-4-ium-2-one Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC[NH+](CC2=O)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)N2CC[NH+](CC2=O)CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H24N4O4/c25-19-12-23(8-9-24(19)15-4-2-1-3-5-15)11-18-21-20(22-28-18)14-6-7-16-17(10-14)27-13-26-16/h6-7,10,15H,1-5,8-9,11-13H2/p+1