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

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole CAS Name: 2-(1-azepan-1-iumylmethyl)-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C15H19N3O/c1-2-7-11-18(10-6-1)12-14-16-17-15(19-14)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2/p+1