5-(azocan-1-ium-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-(azocan-1-ium-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole Openeye Name: 5-(azocan-1-ium-1-ylmethyl)-3-(2-pyridyl)-1,2,4-oxadiazole CAS Name: 5-(1-azocan-1-iumylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-(azocan-1-ium-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole Traditional Name: 5-(azocan-1-ium-1-ylmethyl)-3-(2-pyridyl)-1,2,4-oxadiazole Formula: C15H21N4O+ MolecularWeight: 273.35344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=NC(=NO2)C3=CC=CC=N3

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=NC(=NO2)C3=CC=CC=N3

InChI

InChI=1S/C15H20N4O/c1-2-6-10-19(11-7-3-1)12-14-17-15(18-20-14)13-8-4-5-9-16-13/h4-5,8-9H,1-3,6-7,10-12H2/p+1