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

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(4-propan-2-ylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(4-isopropylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(4-propan-2-yl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(4-propan-2-ylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 1-(4-isopropylpiperazin-4-ium-1-yl)-3-(5-piperonyl-1,3,4-oxadiazol-2-yl)propan-1-one Formula: C20H27N4O4+ MolecularWeight: 387.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C(=O)CCC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C(=O)CCC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N4O4/c1-14(2)23-7-9-24(10-8-23)20(25)6-5-18-21-22-19(28-18)12-15-3-4-16-17(11-15)27-13-26-16/h3-4,11,14H,5-10,12-13H2,1-2H3/p+1