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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium Traditional Name: cyclopentyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-piperonyl-ammonium Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)[NH+](CC2=CC3=C(C=C2)OCO3)CC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3O3/c1-2-6-17(7-3-1)22-23-21(28-24-22)14-25(18-8-4-5-9-18)13-16-10-11-19-20(12-16)27-15-26-19/h1-3,6-7,10-12,18H,4-5,8-9,13-15H2/p+1