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

Systemtic Name: 5-(azocan-1-ium-1-ylmethyl)-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-(azocan-1-ium-1-ylmethyl)-3-phenyl-1,2,4-oxadiazole CAS Name: 5-(1-azocan-1-iumylmethyl)-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-(azocan-1-ium-1-ylmethyl)-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-(azocan-1-ium-1-ylmethyl)-3-phenyl-1,2,4-oxadiazole Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/c1-2-7-11-19(12-8-3-1)13-15-17-16(18-20-15)14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2/p+1