2-(azocan-1-ium-1-ylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazole CAS Name: 2-(1-azocan-1-iumylmethyl)-5-(5-methyl-3-phenyl-4-isoxazolyl)-1,3,4-oxadiazole IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazole Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C[NH+]4CCCCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)C[NH+]4CCCCCCC4

InChI

InChI=1S/C20H24N4O2/c1-15-18(19(23-26-15)16-10-6-5-7-11-16)20-22-21-17(25-20)14-24-12-8-3-2-4-9-13-24/h5-7,10-11H,2-4,8-9,12-14H2,1H3/p+1