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

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole chloride Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-5-(p-tolyl)-1,3,4-oxadiazole chloride CAS Name: 2-(1-azepan-1-iumylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole chloride IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole chloride Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-5-(p-tolyl)-1,3,4-oxadiazole chloride Formula: C16H22ClN3O MolecularWeight: 307.81838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C[NH+]3CCCCCC3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)C[NH+]3CCCCCC3.[Cl-]

InChI

InChI=1S/C16H21N3O.ClH/c1-13-6-8-14(9-7-13)16-18-17-15(20-16)12-19-10-4-2-3-5-11-19;/h6-9H,2-5,10-12H2,1H3;1H