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

Systemtic Name: 3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-oxadiazole CAS Name: 3-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-oxadiazole Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C14H17N3O/c1-3-7-12(8-4-1)14-15-13(18-16-14)11-17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-11H2/p+1