5-(azepan-1-ium-1-ylmethyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC(=NO2)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC(=NO2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H20ClN3O/c17-14-8-4-3-7-13(14)11-15-18-16(21-19-15)12-20-9-5-1-2-6-10-20/h3-4,7-8H,1-2,5-6,9-12H2/p+1