3-(4-chlorophenyl)-5-[(1-prop-2-ynylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-chlorophenyl)-5-[(1-prop-2-ynylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-chlorophenyl)-5-[(1-prop-2-ynylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-chlorophenyl)-5-[(1-prop-2-ynyl-1-piperidin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-chlorophenyl)-5-[(1-prop-2-ynylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-chlorophenyl)-5-[(1-propargylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C17H19ClN3O+ MolecularWeight: 316.80526

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1(CCCCC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CC[N+]1(CCCCC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN3O/c1-2-10-21(11-4-3-5-12-21)13-16-19-17(20-22-16)14-6-8-15(18)9-7-14/h1,6-9H,3-5,10-13H2/q+1