2-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)CC

InChI

InChI=1S/C20H29N5O2/c1-3-9-21-18(26)14-24-10-12-25(13-11-24)15-19-22-20(23-27-19)17-7-5-16(4-2)6-8-17/h5-8H,3-4,9-15H2,1-2H3,(H,21,26)/p+1