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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-methylazanium Traditional Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methyl-piperonyl-ammonium Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O3/c1-3-14-4-7-16(8-5-14)20-21-19(26-22-20)12-23(2)11-15-6-9-17-18(10-15)25-13-24-17/h4-10H,3,11-13H2,1-2H3/p+1