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

Systemtic Name: 5-(azocan-1-ium-1-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole Openeye Name: 5-(azocan-1-ium-1-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole CAS Name: 5-(1-azocan-1-iumylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole IUPAC Name: 5-(azocan-1-ium-1-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole Traditional Name: 5-(azocan-1-ium-1-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole Formula: C16H21ClN3O+ MolecularWeight: 306.81044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O/c17-14-8-6-7-13(11-14)16-18-15(21-19-16)12-20-9-4-2-1-3-5-10-20/h6-8,11H,1-5,9-10,12H2/p+1