3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-(4-cyclopentylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-(4-cyclopentylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-(4-cyclopentylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-(4-cyclopentyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-(4-cyclopentylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-(4-cyclopentylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)CCC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)CCC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H26N4O4/c26-20(25-11-9-24(10-12-25)16-3-1-2-4-16)8-7-19-22-23-21(29-19)15-5-6-17-18(13-15)28-14-27-17/h5-6,13,16H,1-4,7-12,14H2/p+1