1,3-benzodioxol-5-ylmethyl-methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[5-(5-methyl-3-phenyl-4-isoxazolyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]azanium Traditional Name: methyl-[[5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-piperonyl-ammonium Formula: C22H21N4O4+ MolecularWeight: 405.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C[NH+](C)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C[NH+](C)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O4/c1-14-20(21(25-30-14)16-6-4-3-5-7-16)22-24-23-19(29-22)12-26(2)11-15-8-9-17-18(10-15)28-13-27-17/h3-10H,11-13H2,1-2H3/p+1